HRID1573000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID84810

4-Morpholinecarbonyl chloride

C5H8ClNO2

结构：COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCO)c1

HCID122044

Ro 46-2005

C23H27N3O6S

PRODUCTS

生成物

结构：COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOC(=O)N2CCOCC2)c1

HCID54072965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f61eaa6d8e2c47cfa8f84a8914e78298
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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