HRID303612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID76403

Benzoyl chloride, 3,4-dichloro-

C7H3Cl3O

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)Cc1ccc(Oc2ccc(N)cc2)c(CNC(=O)OC(C)(C)C)c1

HCID68466596

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(CNC(=O)OC(C)(C)C)c1

HCID68466753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-701c4e84c6fb41d0a81f30aa3d72d5c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:49]([Cl:50])[Cl:51].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:29][c:30]1[cH:31][c:32]([C:33](=[O:34])[Cl:35])[cH:36][cH:37][c:38]1[Cl:39].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[c:8]([CH2:18][NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:9][c:10]([CH2:13][C:14](=[O:15])[O:16][CH3:17])[cH:11][cH:12]2)[cH:27][cH:28]1.[OH2:52]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[c:8]([CH2:18][NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:9][c:10]([CH2:13][C:14](=[O:15])[O:16][CH3:17])[cH:11][cH:12]2)[cH:27][cH:28]1)[C:33]([c:32]1[cH:31][c:30]([Cl:29])[c:38]([Cl:39])[cH:37][cH:36]1)=[O:34]