HRID172376

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

HCID13345

Triethyl phosphonoacetate

C8H17O5P

HCID166653

Hydride

H-

结构：O=Cc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1-c1cccs1

HCID23024770

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1-c1cccs1

HCID77619156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b9f22b23c68427e922c0879c39b459a
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

[CH2:35]([O:36][P:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH2:43][C:44](=[O:45])[O:46][CH2:47][CH3:48])[CH3:42].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[H-:1].[Na+:2].[OH2:49].[c:3]1(-[c:9]2[s:10][cH:11][c:12]([CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]([CH2:20][n:21]4[n:22][c:23](-[c:28]5[s:29][cH:30][cH:31][cH:32]5)[c:24]([CH:26]=[O:27])[cH:25]4)[cH:33][cH:34]3)[n:13]2)[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[c:3]1(-[c:9]2[s:10][cH:11][c:12]([CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]([CH2:20][n:21]4[n:22][c:23](-[c:28]5[s:29][cH:30][cH:31][cH:32]5)[c:24]([CH:26]=[CH:43][C:44](=[O:45])[O:46][CH2:47][CH3:48])[cH:25]4)[cH:33][cH:34]3)[n:13]2)[cH:4][cH:5][cH:6][cH:7][cH:8]1