HRID2319487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9602

Benzene, 1-(chloromethyl)-4-fluoro-

C7H6ClF

HCID166653

Hydride

H-

HCID22632554

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(Cl)cc1)N1CC(=O)N(Cc2ccc(F)cc2)c2ccccc2C1

HCID22632525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7408391069664fa6b82fba822f14610c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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