HRID933798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6342

Acetonitrile

C2H3N

HCID15655

Cyclopropane carboxylic acid

C4H6O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID59568337

未命名化合物

PRODUCTS

生成物

结构：Cn1c(-c2cccc(N3CCN(C(=O)C4CC4)CC3)c2)nc2ccccc21

HCID68671116

cyclopropyl-{4-[3-(1-methyl-1H-benzoimidazol-2-yl)-phenyl]-piperazin-1-yl}-methanone

C22H24N4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff0db532b78e45f9baa7b0697603ddb5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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