HRID304825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID1100

Sulfurous acid

H2O3S

HCID12524

Butanedial

C4H6O2

HCID498716

未命名化合物

HCID69515002

3-[4-[5-(2-Phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-en-1-amine

C20H21N3O2S

PRODUCTS

产物

HCID69515038

2-(2-Phenoxyethylsulfanylmethyl)-5-[4-(3-pyrrolidin-1-ylprop-1-enyl)phenyl]-1,3,4-oxadiazole

C24H27N3O2S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e05760b7640b4f75b5fa105d3d0ab3fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:37]([BH3-:38])#[N:39].[CH3:41][OH:42].[CH:31]([CH2:32][CH2:33][CH:34]=[O:36])=[O:35].[Na+:40].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([CH:23]=[CH:24][CH2:25][NH2:26])[cH:21][cH:22]2)[n:15][n:16]1.[S:27](=[O:28])([OH:29])[OH:30]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([CH:23]=[CH:24][CH2:25][N:26]3[CH2:31][CH2:32][CH2:33][CH2:34]3)[cH:21][cH:22]2)[n:15][n:16]1