HRID2136769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7401

4-Methoxybenzenesulphonyl chloride

C7H7ClO3S

HCID84468

Trifluoroacetate

C2F3O2-

结构：CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

HCID334924

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)NC(CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

HCID178492893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a7df90575ed4f3888275c90dedae107
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:8][CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][CH2:18][CH:19]1[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2-[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]21)[C:32](=[O:33])[OH:34])([CH3:5])([CH3:6])[CH3:7].[CH3:52][O:53][c:54]1[cH:55][cH:56][c:57]([S:60](=[O:61])(=[O:62])[Cl:63])[cH:58][cH:59]1.[Cl:42][CH2:43][Cl:44].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[O-:45][C:46]([C:47]([F:48])([F:49])[F:50])=[O:51]>>[NH:8]([CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][CH2:18][CH:19]1[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2-[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]21)[C:32](=[O:33])[OH:34])[S:60]([c:57]1[cH:56][cH:55][c:54]([O:53][CH3:52])[cH:59][cH:58]1)(=[O:61])=[O:62]