HRID1549976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21935832

未命名化合物

结构：CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CC(=O)O)cc1

HCID67072057

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1NC(=O)Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1

HCID67072221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a72057c07fe84f0da79edab9631da67b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24]([C:25]([CH3:26])([CH3:27])[O:28][c:29]1[cH:30][cH:31][c:32]([CH2:35][C:36](=[O:37])[OH:38])[cH:33][cH:34]1)=[O:39].[CH3:1][c:2]1[n:3][c:4](-[c:9]2[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[cH:5][cH:6][c:7]1[NH2:8]>>[CH3:1][c:2]1[n:3][c:4](-[c:9]2[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[cH:5][cH:6][c:7]1[NH:8][C:36]([CH2:35][c:32]1[cH:31][cH:30][c:29]([O:28][C:25]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:39])([CH3:26])[CH3:27])[cH:34][cH:33]1)=[O:37]