HRID1218095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID66774

Methyl hydroxyacetate

C3H6O3

HCID166653

Hydride

H-

结构：CCc1cc2c(Cl)nc(SC)nc2n1Cc1ccccc1-c1ccccc1

HCID22466482

未命名化合物

PRODUCTS

生成物

结构：CCc1cc2c(OCC(=O)OC)nc(SC)nc2n1Cc1ccccc1-c1ccccc1

HCID69558384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6e01a58419a420d9ab00e1d64d99157
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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