HRID665267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14471936

未命名化合物

结构：CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(Cl)nc3c2)nn1)C(F)(F)F

HCID25055312

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(OCC(F)(F)F)nc3c2)nn1)C(F)(F)F

HCID25055572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a84e6d0bc3c430a897a6d777c32c0d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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