HRID147021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(F)cc1C(C)(C)CC(O)(CN)C(F)(F)F

HCID17936586

未命名化合物

HCID57615934

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F

HCID11992433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67ae0852a496429493eb735016ddd502
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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