HRID1574121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2783329

4-Fluoro-2-methoxybenzonitrile

C8H6FNO

结构：OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCCOCc1ccccc1

HCID59296181

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CCCOCc2ccccc2)ccc1C#N

HCID59594662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f468193fbb4849638947a1376af327f1
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

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