Employees are the key for enterprises to practice green product innovation, and their green innovation behavior is influenced by both direct leadership and organizational atmosphere. However, previous studies mostly studied the influence of leadership on employees’ green behavior from the theory of planned behavior. The study based on social learning theory, reveals the mechanism of employees’ organizational citizenship behavior toward the environment and green organization atmosphere in stimulating employees’ green product innovation. By using SPSS23.0, AMOS24.0 and other data processing software, 312 valid questionnaires of manufacturing enterprises were analyzed. This conclusion is conducive to enrich the relevant research on the impact mechanism of green transformational leadership on green product innovation. Enterprises should take several measures to improve the green atmosphere of the organization and encourage employees’ green behavior.