HRID684228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6365

1,1-Dichloroethane

C2H4Cl2

结构：COC(=O)c1cc(C)c(C(O)c2cc(-n3ccnc3)ccc2C)c(C)c1

HCID10882640

未命名化合物

HCID12924679

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C)c(C(OC(=O)C(C)NS(=O)(=O)c2ccc(C)cc2)c2cc(-n3ccnc3)ccc2C)c(C)c1

HCID22116637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cefb65cc49bb4834bf6aeff9b6538902
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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