HRID1551218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

Dimethylformamide

C3H7NO

HCID6921607

2-Fluoro-4-(trifluoromethyl)benzoate

C8H3F4O2-

HCID22493983

未命名化合物

PRODUCTS

产物

HCID22493991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-064dc6a4cdcb4638b4d5960714a49385
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

[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl-:28].[F:29][c:30]1[c:31]([C:32](=[O:33])[O-:34])[cH:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1.[NH2:1][CH2:2][c:3]1[cH:4][c:5]([CH2:11][CH:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[O:18][CH:19]([CH3:20])[CH3:21])[cH:6][cH:7][c:8]1[O:9][CH3:10].[OH2:43].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([CH2:11][CH:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[O:18][CH:19]([CH3:20])[CH3:21])[cH:6][cH:7][c:8]1[O:9][CH3:10])[C:32]([c:31]1[c:30]([F:29])[cH:38][c:37]([C:39]([F:40])([F:41])[F:42])[cH:36][cH:35]1)=[O:33]