HRID1148719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID25134

Boron tribromide

BBr3

结构：COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccc(Cl)cc1

HCID4059895

1-(4-Chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid

C19H18ClNO3

结构：COC(=O)Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

HCID53817482

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CC(=O)O)c2cc(O)ccc2n1Cc1ccc(Cl)cc1

HCID23368791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-872add72e82c4a4bac9e65d28e1423d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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