HRID1223351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID5360545

Sodium

HCID15881136

2-Hydroxy-N-(1-phenylethyl)acetamide

C10H13NO2

结构：COc1ccccc1Oc1c(Cl)nc(N2CCN(C=O)CC2)nc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID86753877

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCN(C=O)CC2)nc1OCC(=O)NC(C)c1ccccc1

HCID54369531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc4d72b4b5744a49a4a174fea7730a85
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:15]([CH3:16])([CH3:17])([CH3:18])[c:19]1[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[NH:28][c:29]2[n:30][c:31]([N:45]3[CH2:46][CH2:47][N:48]([CH:51]=[O:52])[CH2:49][CH2:50]3)[n:32][c:33]([Cl:44])[c:34]2[O:35][c:36]2[c:37]([O:42][CH3:43])[cH:38][cH:39][cH:40][cH:41]2)[cH:23][cH:24]1.[CH3:54][S:55](=[O:56])[CH3:57].[ClH:53].[Na:14].[OH2:58].[c:1]1([CH:7]([CH3:8])[NH:9][C:10]([CH2:11][OH:12])=[O:13])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH3:8])[NH:9][C:10]([CH2:11][O:12][c:33]2[n:32][c:31]([N:45]3[CH2:46][CH2:47][N:48]([CH:51]=[O:52])[CH2:49][CH2:50]3)[n:30][c:29]([NH:28][S:25]([c:22]3[cH:21][cH:20][c:19]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:24][cH:23]3)(=[O:26])=[O:27])[c:34]2[O:35][c:36]2[c:37]([O:42][CH3:43])[cH:38][cH:39][cH:40][cH:41]2)=[O:13])[cH:2][cH:3][cH:4][cH:5][cH:6]1