HRID1546943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID36229

5-Benzothiazolamine, 2-methyl-

C8H8N2S

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2735792

4-(4-Chlorophenyl)cyclohexanecarboxylic acid

C13H15ClO2

PRODUCTS

生成物

结构：Cc1nc2cc(NC(=O)C3CCC(c4ccc(Cl)cc4)CC3)ccc2s1

HCID10407712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc2b0ca168d346dc913457df58ec401d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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