HRID1233275

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)nc1CN1CCC(C(F)(F)F)CC1

HCID59556321

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(C(F)(F)F)CC2)ccc1C#N

HCID59594674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ed4e321c6ee4a06b952fe01c6a33a27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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