HRID124321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6269

4-Toluenesulfonamide

C7H9NO2S

HCID136247

3,5-Bis(trifluoromethyl)benzaldehyde

C9H4F6O

HCID2736682

2-Chloro-5-(trifluoromethyl)benzylamine

C8H7ClF3N

PRODUCTS

产物

HCID86614963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-31a146b096dd41a3889cbdf3055d8069
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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