HRID194015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8012

1-Butanethiol

C4H10S

HCID11002

Dibutyl sulfide

C8H18S

HCID12339

Butane, 1-(methylthio)-

C5H12S

HCID166653

Hydride

H-

HCID14425905

未命名化合物

PRODUCTS

生成物

HCID13982541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12126cd538084965a081d6dec5b0b028
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

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