HRID1562067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID13396

4-Aminobenzonitrile

C7H6N2

HCID57693554

未命名化合物

PRODUCTS

产物

HCID57693642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0c2f9f9f98c64217b37a27cf8f456daf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][cH:10][c:11]2[n:12][c:13]([Cl:29])[n:14][c:15]([O:17][c:18]3[c:19]([CH3:28])[cH:20][c:21]([C:25]([CH3:26])=[O:27])[cH:22][c:23]3[CH3:24])[c:16]12.[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45].[NH2:30][c:31]1[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]1.[OH2:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][cH:10][c:11]2[n:12][c:13]([NH:30][c:31]3[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]3)[n:14][c:15]([O:17][c:18]3[c:19]([CH3:28])[cH:20][c:21]([C:25]([CH3:26])=[O:27])[cH:22][c:23]3[CH3:24])[c:16]12