HRID191831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2777907

O-tert-butylhydroxylamine

C4H11NO

结构：CC1(C(=O)O)COCCC1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1

HCID68817819

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)ONC(=O)C1(C)COCCC1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1

HCID178454590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e869c82eae684e2c94d5fd87c8694348
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][NH2:44].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]2[C:20]([C:25](=[O:26])[OH:27])([CH3:28])[CH2:21][O:22][CH2:23][CH2:24]2)[cH:13][cH:14]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[ClH:38].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]2[C:20]([C:25](=[O:26])[NH:44][O:43][C:39]([CH3:40])([CH3:41])[CH3:42])([CH3:28])[CH2:21][O:22][CH2:23][CH2:24]2)[cH:13][cH:14]1