HRID112789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

HCID21075799

未命名化合物

PRODUCTS

生成物

HCID69177518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e04bf422495a4091a76441bccbe61b3b
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([cH:8][n:9][c:10]2[cH:11]1)[n:12][c:13]([CH2:19][CH2:20][CH3:21])[n:14]3[NH:15][CH:16]([CH3:17])[CH3:18].[CH:46]([Cl:47])([Cl:48])[Cl:49].[NH4+:33].[OH-:34].[OH2:50].[OH:22][O:23][C:24]([c:25]1[cH:26][c:27]([Cl:28])[cH:29][cH:30][cH:31]1)=[O:32].[c:35]1([CH3:36])[cH:37][cH:38][c:39]([S:40]([Cl:41])(=[O:42])=[O:43])[cH:44][cH:45]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([c:8]([NH2:33])[n:9][c:10]2[cH:11]1)[n:12][c:13]([CH2:19][CH2:20][CH3:21])[n:14]3[NH:15][CH:16]([CH3:17])[CH3:18]