HRID1116284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5787

2,4-Dichlorobenzoic acid

C7H4Cl2O2

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(N)C1(c2ccccn2)CN(C(=O)OC(C)(C)C)C1

HCID68827092

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1ccc(Cl)cc1Cl)C1(c2ccccn2)CN(C(=O)OC(C)(C)C)C1

HCID178464764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9c781f31bf749c1a8ef63d55243873b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Cl:42][CH2:43][Cl:44].[NH2:1][CH:2]([CH3:3])[C:4]1([c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:5][N:6]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:7]1.[OH:21][C:22](=[O:23])[c:24]1[cH:25][cH:26][c:27]([Cl:28])[cH:29][c:30]1[Cl:31].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[NH:1]([CH:2]([CH3:3])[C:4]1([c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:5][N:6]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:7]1)[C:22](=[O:21])[c:24]1[cH:25][cH:26][c:27]([Cl:28])[cH:29][c:30]1[Cl:31]