HRID287835

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CCCCCCCCCCCCCCCCOCC(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID21299150

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)COS(C)(=O)=O

HCID21299149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f582fb9d2d049388085a7979c703dc1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:6]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[O:22][CH2:23][CH:24]([CH2:25][OH:26])[CH2:27][O:28][C:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[OH2:48].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[CH3:1][S:2](=[O:3])(=[O:4])[O:26][CH2:25][CH:24]([CH2:23][O:22][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[CH2:27][O:28][C:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1