HRID2148145

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

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：COc1cc(COc2nn(-c3ccccc3)cc2C=C2SC(=O)NC2=O)ccc1OCc1nc(-c2ccco2)oc1C

HCID91049936

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2nn(-c3ccccc3)cc2C=C2SC(=O)N(C)C2=O)ccc1OCc1nc(-c2ccco2)oc1C

HCID91574504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d539af6fb655451c838b768712eabaf9
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].[CH3:50][I:51].[H-:48].[Na+:49].[OH2:52].[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:42])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:40][CH3:41])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[cH:22][c:23]4[CH:24]=[C:25]4[C:26](=[O:31])[NH:27][C:28](=[O:30])[S:29]4)[cH:38][cH:39]3)[n:10]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:42])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:40][CH3:41])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[cH:22][c:23]4[CH:24]=[C:25]4[C:26](=[O:31])[N:27]([CH3:43])[C:28](=[O:30])[S:29]4)[cH:38][cH:39]3)[n:10]2)[cH:3][cH:4][cH:5]1