HRID1149245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7060524

(1-methyl-1H-imidazol-4-yl)methanol

C5H8N2O

结构：COc1ccc2c(Cl)nc(C#N)c(-c3cccc(F)c3)c2c1

HCID11243897

1-chloro-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile

C17H10ClFN2O

结构：C=CCOc1nc(C#N)c(-c2ccccc2)c2cc(OC)ccc12

HCID11438474

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(OCc3cn(C)cn3)nc(C#N)c(-c3cccc(F)c3)c2c1

HCID11372648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17da5c0d620144369f0c1883b2f6e426
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([O:2][c:3]1[c:4]2[c:5]([cH:6][c:7]([O:8][CH3:9])[cH:10][cH:11]2)[c:12](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]([C:20]#[N:21])[n:22]1)[CH:23]=[CH2:24].[CH3:47][n:48]1[cH:49][n:50][c:51]([CH2:53][OH:54])[cH:52]1.[Cl:25][c:26]1[n:27][c:28]([C:45]#[N:46])[c:29](-[c:38]2[cH:39][c:40]([F:44])[cH:41][cH:42][cH:43]2)[c:30]2[cH:31][c:32]([O:36][CH3:37])[cH:33][cH:34][c:35]12>>[c:26]1([O:54][CH2:53][c:51]2[n:50][cH:49][n:48]([CH3:47])[cH:52]2)[n:27][c:28]([C:45]#[N:46])[c:29](-[c:38]2[cH:39][c:40]([F:44])[cH:41][cH:42][cH:43]2)[c:30]2[cH:31][c:32]([O:36][CH3:37])[cH:33][cH:34][c:35]12