HRID106057

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-

HCID2734675

2-Fluoro-4-hydroxybenzonitrile

C7H4FNO

结构：FC(F)(F)c1ccc(-c2nc(CCCOCc3ccccc3)c(CCl)s2)cc1

HCID59594680

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CCCOCc2ccccc2)cc1F

HCID59594685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9bd15f0ed924f81a52db95b2b112921
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

[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][Cl:18].[F:31][c:32]1[c:33]([C:34]#[N:35])[cH:36][cH:37][c:38]([OH:40])[cH:39]1.[H-:30].[Na+:29].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[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:40][c:38]1[cH:37][cH:36][c:33]([C:34]#[N:35])[c:32]([F:31])[cH:39]1