HRID99982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8374

2-Chlorobenzoic acid

C7H5ClO2

结构：CCCNCC(O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F

HCID59324165

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC(O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl

HCID59324172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4314bae1a75e4c7ca3f86cd102e5aa50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[c:21]2[cH:22][c:23]([CH3:25])[cH:24]1)([OH:33])[CH2:34][NH:35][CH2:36][CH2:37][CH3:38])([F:39])[F:40].[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:35]([CH2:34][C:13]([C:12]([F:11])([F:39])[F:40])([CH2:14][NH:15][c:16]1[c:17]2[cH:18][n:19][n:20](-[c:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[c:21]2[cH:22][c:23]([CH3:25])[cH:24]1)[OH:33])[CH2:36][CH2:37][CH3:38]