HRID285717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID737363

4-(Difluoromethoxy)aniline

C7H7F2NO

HCID68661723

未命名化合物

PRODUCTS

产物

HCID11713369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fa026a3bac83444a9f9534ccccb721c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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