HRID142767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID166653

Hydride

H-

HCID587203

3,4-Difluorobenzonitrile

C7H3F2N

HCID67366878

未命名化合物

PRODUCTS

产物

HCID57468410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2fde2bcf3c784e969908ae9e199e4f25
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

[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[F:29][c:30]1[cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36][c:37]1[F:38].[H-:27].[Na+:28].[O:1]=[c:2]1[nH:3][cH:4][cH:5][c:6]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:7]1.[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[OH2:45]>>[O:1]=[c:2]1[n:3](-[c:37]2[c:30]([F:29])[cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36]2)[cH:4][cH:5][c:6]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:7]1