HRID2142090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID23082857

未命名化合物

HCID23143297

未命名化合物

PRODUCTS

生成物

结构：CCCc1csc(N(CCc2ccccc2)Cc2ccc(COc3ccc(CCC(=O)OC)cc3)cc2)n1

HCID23143271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6475cbd6239b4224b9dc4800f52b26a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Cl:20][CH2:21][c:22]1[cH:23][cH:24][c:25]([CH2:26][O:27][c:28]2[cH:29][cH:30][c:31]([CH2:34][CH2:35][C:36](=[O:37])[O:38][CH3:39])[cH:32][cH:33]2)[cH:40][cH:41]1.[H-:18].[Na+:19].[OH2:42].[c:1]1([CH2:7][CH2:8][NH:9][c:10]2[s:11][cH:12][c:13]([CH2:15][CH2:16][CH3:17])[n:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][N:9]([c:10]2[s:11][cH:12][c:13]([CH2:15][CH2:16][CH3:17])[n:14]2)[CH2:21][c:22]2[cH:23][cH:24][c:25]([CH2:26][O:27][c:28]3[cH:29][cH:30][c:31]([CH2:34][CH2:35][C:36](=[O:37])[O:38][CH3:39])[cH:32][cH:33]3)[cH:40][cH:41]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1