HRID951953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7519

Anisole

C7H8O

HCID19660

Carbonate

CO3-2

HCID61140

n-Butyl chloroformate

C5H9ClO2

结构：CCc1nccn1CC(=O)c1cccc(-c2cc(CC(C)C)sc2S(=O)(=O)NC(C)(C)C)c1

HCID67132948

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2ccnc2CC)c1

HCID67133138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a2d0d8d1c6947f49f21e84359a8aa99
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:42](=[O:43])([O-:44])[O-:45].[CH2:1]([CH3:2])[c:3]1[n:4]([CH2:8][C:9](=[O:10])[c:11]2[cH:12][c:13](-[c:17]3[c:18]([S:26](=[O:27])(=[O:28])[NH:29][C:30]([CH3:31])([CH3:32])[CH3:33])[s:19][c:20]([CH2:22][CH:23]([CH3:24])[CH3:25])[cH:21]3)[cH:14][cH:15][cH:16]2)[cH:5][cH:6][n:7]1.[CH3:34][O:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl:48][C:49](=[O:50])[O:51][CH2:52][CH2:53][CH2:54][CH3:55].[Cl:63][CH2:64][Cl:65].[F:56][C:57]([F:58])([F:59])[C:60]([OH:61])=[O:62].[Na+:46].[Na+:47].[OH2:66]>>[CH2:1]([CH3:2])[c:3]1[n:4]([CH2:8][C:9](=[O:10])[c:11]2[cH:12][c:13](-[c:17]3[c:18]([S:26](=[O:27])(=[O:28])[NH:29][C:49](=[O:50])[O:51][CH2:52][CH2:53][CH2:54][CH3:55])[s:19][c:20]([CH2:22][CH:23]([CH3:24])[CH3:25])[cH:21]3)[cH:14][cH:15][cH:16]2)[cH:5][cH:6][n:7]1