HRID191563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID176

Acetic Acid

C2H4O2

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID7858

Allyl alcohol

C3H6O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28123

Borohydride

BH4-

HCID105144

Palladium(2+)

Pd+2

HCID16081315

未命名化合物

PRODUCTS

产物

HCID11951644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f913415cc72f41518661772e7d96de8f
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

[BH4-:25].[C:59]([OH:60])(=[O:61])[CH3:62].[CH3:28][CH2:29][CH2:30][CH2:31][N+:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44].[CH3:45][C:46]#[N:47].[CH3:48][OH:49].[Cl-:27].[I:1][c:2]1[n:3][n+:4]([O-:15])[c:5]2[c:6]([n:7]1)[cH:8][c:9]1[c:13]([cH:14]2)[CH2:12][CH2:11][CH2:10]1.[Na+:24].[Na+:26].[O-:20][C:21]([OH:22])=[O:23].[O-:51][C:52]([CH3:53])=[O:54].[O-:55][C:56]([CH3:57])=[O:58].[OH:16][CH2:17][CH:18]=[CH2:19].[Pd+2:50]>>[c:2]1([CH2:19][CH2:18][CH2:17][OH:16])[n:3][n+:4]([O-:15])[c:5]2[c:6]([n:7]1)[cH:8][c:9]1[c:13]([cH:14]2)[CH2:12][CH2:11][CH2:10]1