HRID179292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID81079

2-Chloronicotinonitrile

C6H3ClN2

HCID242965

未命名化合物

HCID53919081

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID54159584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fe4d6b4ee5b54cb9b3be586b73a05419
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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