HRID2158394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cc1cc(-c2ccc(C(=O)OCc3ccccc3)cc2)cc(C)c1OCCO

HCID23090745

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(C(=O)OCc3ccccc3)cc2)cc(C)c1OCCOS(C)(=O)=O

HCID23090786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35a8a38736784715809f81d2f5a76954
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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