HRID292086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID78230

4-Isopropylphenylacetic acid

C11H14O2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID51358483

1-(5-Bromopyridin-2-yl)ethan-1-amine

C7H9BrN2

PRODUCTS

生成物

结构：CC(C)c1ccc(CC(=O)NC(C)c2ccc(Br)cn2)cc1

HCID91053079

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11cc9e1eb1e14fdbad4a5f11d411c20c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:15][c:16]1[cH:17][cH:18][c:19]([CH:22]([CH3:23])[NH2:24])[n:20][cH:21]1.[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH3:36].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][C:11](=[O:12])[OH:13])[cH:8][cH:9]1.[Cl:54][CH2:55][Cl:56].[ClH:14].[ClH:25].[OH:37][n:38]1[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][C:11](=[O:13])[NH:24][CH:22]([c:19]2[cH:18][cH:17][c:16]([Br:15])[cH:21][n:20]2)[CH3:23])[cH:8][cH:9]1