HRID186431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10448

3-(Methylthio)-1-propanol

C4H10OS

HCID13831

Tributylphosphine

C12H27P

HCID73042

1,1′-(1,2-Diazenediyl)bis[1-(1-piperidinyl)methanone]

C12H20N4O2

HCID136368377

未命名化合物

PRODUCTS

产物

HCID66995101

Methyl 2-{3-cyano-4-[3-(methylthio)propoxy]phenyl)isonicotinate

C18H18N2O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-67084ba25ee24ed488e8aaa08d35dc52
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:7](#[N:8])[c:9]1[cH:10][c:11](-[c:16]2[cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24][n:25]2)[cH:12][cH:13][c:14]1[OH:15].[CH2:26]([P:27]([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH3:38].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:1][S:2][CH2:3][CH2:4][CH2:5][OH:6].[N:39]([C:40]([N:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1)=[O:47])=[N:48][C:49]([N:50]1[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1)=[O:56]>>[CH3:1][S:2][CH2:3][CH2:4][CH2:5][O:6][c:14]1[c:9]([C:7]#[N:8])[cH:10][c:11](-[c:16]2[cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24][n:25]2)[cH:12][cH:13]1