HRID1140481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID10442

1,3-Propanediol

C3H8O2

HCID166653

Hydride

H-

结构：COc1ccccc1Oc1c(Cl)nc(N2CCOCC2)nc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID22729414

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)nc1OCCCO

HCID15381102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f749948edb144a6ba5149f9181e8885
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:8]([CH3:9])([CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[NH:21][c:22]2[n:23][c:24]([N:38]3[CH2:39][CH2:40][O:41][CH2:42][CH2:43]3)[n:25][c:26]([Cl:37])[c:27]2[O:28][c:29]2[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:16][cH:17]1.[CH2:1]([CH2:2][CH2:3][OH:4])[OH:5].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:50][S:51](=[O:52])[CH3:53].[H-:6].[Na+:7]>>[CH2:1]([CH2:2][CH2:3][O:4][c:26]1[n:25][c:24]([N:38]2[CH2:39][CH2:40][O:41][CH2:42][CH2:43]2)[n:23][c:22]([NH:21][S:18]([c:15]2[cH:14][cH:13][c:12]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:17][cH:16]2)(=[O:19])=[O:20])[c:27]1[O:28][c:29]1[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]1)[OH:5]