HRID697288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID77499

1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-

C10H9NO3

HCID57659206

未命名化合物

PRODUCTS

生成物

结构：O=C1c2ccccc2C(=O)N1CCOC(c1ccc(Cl)cc1)c1ccc(Br)cc1

HCID59331922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdba14d7c294442996d00ccf6b394c39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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