HRID90338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7723

4-Chlorobenzyl chloride

C7H6Cl2

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

HCID10729163

Ethyl (5-methoxy-2-methyl-1H-indol-3-yl)acetate

C14H17NO3

PRODUCTS

生成物

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

HCID10523286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a10c412850c42508ec8d4ce6475c641
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

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