HRID1573491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID6395

Methanesulfonic acid

CH4O3S

结构：CC(CO)(CO)NCc1cc2c3ccccc3ccc2c2ccccc12

HCID57062

Crisnatol

C23H23NO2

HCID68294

1,3-Propanediol, 2-amino-

C3H9NO2

HCID12438774

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID13375357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89d0a00e92e2472e9332e607a20e700d
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][S:2](=[O:3])(=[O:4])[OH:5].[CH3:59][OH:60].[CH3:61][CH2:62][O:63][CH2:64][CH3:65].[ClH:52].[NH2:53][CH:54]([CH2:55][OH:56])[CH2:57][OH:58].[cH:32]1[c:33]2[cH:34][cH:35][c:36]3[c:37]([cH:38][c:39]([CH:40]=[O:41])[c:42]4[c:43]3[cH:44][cH:45][cH:46][cH:47]4)[c:48]2[cH:49][cH:50][cH:51]1.[cH:6]1[cH:7][cH:8][cH:9][c:10]2[c:11]3[cH:12][c:13]([CH2:24][NH:25][C:26]([CH2:27][OH:28])([CH2:29][OH:30])[CH3:31])[c:14]4[cH:15][cH:16][cH:17][cH:18][c:19]4[c:20]3[cH:21][cH:22][c:23]12>>[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[cH:6]1[cH:7][cH:8][cH:9][c:10]2[c:11]3[cH:12][c:13]([CH2:24][NH:25][CH:26]([CH2:27][OH:28])[CH2:29][OH:30])[c:14]4[cH:15][cH:16][cH:17][cH:18][c:19]4[c:20]3[cH:21][cH:22][c:23]12