HRID2325259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8374

2-Chlorobenzoic acid

C7H5ClO2

结构：CCCNCC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F

HCID59324137

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl

HCID59324156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76f23eeebed6447084c2e69cca6bcb6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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