HRID140450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

HCID2737537

3-Fluoro-4-(trifluoromethyl)benzaldehyde

C8H4F4O

HCID67398566

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccc(C(F)(F)F)c(F)c1)C1CN(Cc2ccccc2)CC1c1ccc(Cl)c(F)c1

HCID86641316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9ac9afdec6241dd8fdca2006abf12e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:36]([BH3-:37])#[N:38].[C:42]([OH:43])(=[O:44])[CH3:45].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([NH:21][CH3:22])[CH:11]([c:13]2[cH:14][c:15]([F:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:12]1.[CH3:40][OH:41].[F:23][c:24]1[cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30][c:31]1[C:32]([F:33])([F:34])[F:35].[Na+:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([N:21]([CH3:22])[CH2:27][c:26]2[cH:25][c:24]([F:23])[c:31]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:29]2)[CH:11]([c:13]2[cH:14][c:15]([F:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:12]1