HRID2135566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

结构：CCCN(CCSc1ccc(OCC(=O)OCC)c(CC)c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

HCID58713183

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCSc1ccc(OCC(=O)O)c(CC)c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

HCID58712915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94fda51876794df29d92cd1d5df5c76d
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

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