HRID1225493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11195979

未命名化合物

结构：Cc1ccc(C(=O)OC(=O)C(O)C(O)C(=O)OC(=O)c2ccc(C)cc2)cc1

HCID14721058

未命名化合物

PRODUCTS

生成物

HCID22938610

4-[(1-Propyl-1H-imidazol-5-yl)methanesulfinyl]aniline

C13H17N3OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-172c62d2e6904f889b723d98e5d3a18d
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

[CH2:30]([CH2:31][CH3:32])[n:33]1[cH:34][n:35][cH:36][c:37]1[CH2:38][S:39][c:40]1[cH:41][cH:42][c:43]([NH2:46])[cH:44][cH:45]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[ClH:47].[OH2:1].[c:2]1([CH3:3])[cH:4][cH:5][c:6]([C:7]([O:8][C:10](=[O:11])[CH:12]([CH:13]([C:14]([O:15][C:16]([c:17]2[cH:18][cH:19][c:20]([CH3:21])[cH:22][cH:23]2)=[O:24])=[O:25])[OH:26])[OH:27])=[O:9])[cH:28][cH:29]1>>[O:9]=[S:39]([CH2:38][c:37]1[n:33]([CH2:30][CH2:31][CH3:32])[cH:34][n:35][cH:36]1)[c:40]1[cH:41][cH:42][c:43]([NH2:46])[cH:44][cH:45]1