HRID1570195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID2735413

N-[3-(3-aminopropoxy)phenyl]acetamide

C11H16N2O2

结构：Cc1ccc(S(=O)(=O)OCC2COc3ccc4[nH]c(=O)[nH]c4c3O2)cc1

HCID10292916

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cccc(OCCCNCC2COc3ccc4[nH]c(=O)[nH]c4c3O2)c1

HCID10136384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81ba94de559f4f048d456d020cd0b5f0
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

[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]2[CH2:14][O:15][c:16]3[c:17]([c:18]4[c:19]([nH:20][c:21](=[O:23])[nH:22]4)[cH:24][cH:25]3)[O:26]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[NH2:27][CH2:28][CH2:29][CH2:30][O:31][c:32]1[cH:33][c:34]([NH:38][C:39]([CH3:40])=[O:41])[cH:35][cH:36][cH:37]1>>[CH2:12]([CH:13]1[CH2:14][O:15][c:16]2[c:17]([c:18]3[c:19]([nH:20][c:21](=[O:23])[nH:22]3)[cH:24][cH:25]2)[O:26]1)[NH:27][CH2:28][CH2:29][CH2:30][O:31][c:32]1[cH:33][c:34]([NH:38][C:39]([CH3:40])=[O:41])[cH:35][cH:36][cH:37]1