HRID1204655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID2773887

{4-[(Methanesulfonyl)amino]phenyl}acetic acid

C9H11NO4S

HCID21182036

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(OCC(C)N(C)C(=O)Cc2ccc(NS(C)(=O)=O)cc2)c1C

HCID21182026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11abd8c648134c95a3fbd755aaa14317
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:16][N:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22]1.[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][C:13](=[O:14])[OH:15])[cH:10][cH:11]1.[CH3:31][NH:32][CH:33]([CH2:34][O:35][c:36]1[c:37]([CH3:43])[c:38]([CH3:42])[cH:39][cH:40][cH:41]1)[CH3:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[Cl:23][C:24]([O:25][CH2:26][CH:27]([CH3:28])[CH3:29])=[O:30]>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][C:13](=[O:15])[N:32]([CH3:31])[CH:33]([CH2:34][O:35][c:36]2[c:37]([CH3:43])[c:38]([CH3:42])[cH:39][cH:40][cH:41]2)[CH3:44])[cH:10][cH:11]1