HRID2141538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5360545

Sodium

HCID9877446

4-Chloro-2,3-dimethyl-1-oxo-1lambda~5~-pyridine

C7H8ClNO

HCID59792489

未命名化合物

结构：CCCC1(CCOc2ccnc(CS(=O)c3nc4ccccc4[nH]3)c2C)OCCO1

HCID59792521

未命名化合物

PRODUCTS

生成物

HCID5360545

Sodium

结构：CCC1(COc2ccnc(CS(=O)c3nc4ccccc4[nH]3)c2C)OCCCO1

HCID59792426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b04f4baf84d6451b859e29b4bf220807
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

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