HRID1115839

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID15133602

2-(Chloromethyl)-3-fluoropyridine

C6H5ClFN

反应SMILES：CC(C)C(=O)NC1CCc2[nH]c3ccc(C#N)cc3c2C1

HCID57431662

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)C(=O)NC1CCc2c(c3cc(C#N)ccc3n2Cc2ncccc2F)C1

HCID59161258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b9b969911de24e4282550d1f41a81cda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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