HRID112906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2759867

(1-Methyl-1H-indol-5-yl)boronic acid

C9H10BNO2

HCID57481466

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc2cc(-c3cc4nc(S(C)(=O)=O)[nH]c4cc3Cl)ccc21

HCID67447355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb70e15d277a4c92b9bcc0bdc0e2fbc1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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