HRID180167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7707

3-Phenylpropanal

C9H10O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID12136

Benzyl carbamate

C8H9NO2

HCID3857574

Benzenesulfinate

C6H5O2S-

PRODUCTS

生成物

结构：O=C(NC(CCc1ccccc1)S(=O)(=O)c1ccccc1)OCc1ccccc1

HCID10597651

Carbamic acid, [3-phenyl-1-(phenylsulfonyl)propyl]-, phenylmethyl ester

C23H23NO4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c5d3342ed96465aa11ff3b41e7cb736
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:11]([NH2:12])([O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)=[O:21].[C:38]([O:39][CH2:40][CH3:41])(=[O:42])[CH3:43].[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH:22]([CH2:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)=[O:31].[CH:45]([OH:46])=[O:47].[Na+:10].[OH2:44].[c:1]1([S:7](=[O:8])[O-:9])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[CH:22]([NH:12][C:11]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:21])[CH2:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1