HRID1137281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID23365

gamma-Aminobutyric acid ethyl ester

C6H13NO2

结构：CN(c1cccc2cc(-c3ncc(CCl)s3)[nH]c12)S(=O)(=O)c1cccs1

HCID57475969

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCNCc1cnc(-c2cc3cccc(N(C)S(=O)(=O)c4cccs4)c3[nH]2)s1

HCID68461812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94128dd4df67411abe0335eae3964c24
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

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