HRID662669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID2776128

1-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride

C11H8Cl2N2O

HCID58443376

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(Br)c1

HCID44480597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-686b4b3c474944279e4dd41030911d4f
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

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