HRID1574434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID3752277

未命名化合物

HCID21837320

未命名化合物

PRODUCTS

生成物

结构：CCc1nn(-c2c(C)cc(Br)cc2C)c(CC)c1CN1Cc2ccccc2CC1CO

HCID67553306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f242a833648d413b9d30ed2b8a42e263
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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