HRID107635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID136247

3,5-Bis(trifluoromethyl)benzaldehyde

C9H4F6O

HCID58968640

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Br)c(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(F)(F)F

HCID58968728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50c852ef2c314eac9549fc715cc420c6
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

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