HRID2309919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

结构：CCCN(CCSc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1Br

HCID58712987

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCSc1ccc(OCC(=O)O)c(C)c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1Br

HCID58713096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64b380ad4ef94a1691b63db668fb600b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:34])[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]([Br: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:35].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH3:45][CH2:46][OH:47].[ClH:44].[Na+:37].[OH-:36]>>[O:3]=[C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:34])[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]([Br: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:35]