HRID100917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID9795358

1-(4-Cyanobenzyl)-5-(chloromethyl)imidazole

C12H10ClN3

HCID21193312

未命名化合物

PRODUCTS

产物

HCID21193357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-47cb3b2b6dd94088b5598d7b3a0c4601
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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