HRID1539973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

反应SMILES：O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID136247

3,5-Bis(trifluoromethyl)benzaldehyde

C9H4F6O

HCID2724942

未命名化合物

反应SMILES：NC1CC(C2CC2)Nc2c(Br)cc(C(F)(F)F)cc21

HCID22394243

未命名化合物

PRODUCTS

产物

反应SMILES：FC(F)(F)c1cc(CNC2CC(C3CC3)Nc3c(Br)cc(C(F)(F)F)cc32)cc(C(F)(F)F)c1

HCID22394229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b8ffbb049187413c9ad2b6bd38cbf743
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

[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:20][C:21](=[O:22])[OH:23].[Cl:54][CH2:55][Cl:56].[F:24][C:25]([c:26]1[cH:27][c:28]([CH:29]=[O:30])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39].[NH2:1][CH:2]1[CH2:3][CH:4]([CH:17]2[CH2:18][CH2:19]2)[NH:5][c:6]2[c:7]([Br:16])[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][c:11]21.[Na+:53]>>[NH:1]([CH:2]1[CH2:3][CH:4]([CH:17]2[CH2:18][CH2:19]2)[NH:5][c:6]2[c:7]([Br:16])[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][c:11]21)[CH2:29][c:28]1[cH:27][c:26]([C:25]([F:24])([F:38])[F:39])[cH:33][c:32]([C:34]([F:35])([F:36])[F:37])[cH:31]1