HRID667747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID29792506

未命名化合物

HCID69346850

4-Chloro-1H-indole-7-carboxylic acid

C9H6ClNO2

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2ccc(Cl)cc2)C(=O)c2ccc(Cl)c3cc[nH]c23)cc1

HCID86603104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f84b7fdaabc4afe8d9b85f0eaf0f006
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

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