HRID666827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Cl)c(Cl)c1

HCID10639786

2-Chloro-4-[(5-fluoro-2-methylbenzoyl)amino]benzoyl chloride

C15H10Cl2FNO2

HCID15547048

10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine

C12H12N2

PRODUCTS

生成物

结构：Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1

HCID172997

Lixivaptan

C27H21ClFN3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04fe0ab8647c4c9db11d01329eb44780
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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