HRID2123679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID10757

2-Chloroacetophenone

C8H7ClO

HCID76828756

未命名化合物

PRODUCTS

产物

HCID312

Chloride

Cl-

HCID178524379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-eb5cc1f465c74851834b4d4b11baeadd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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