HRID91399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

4 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7847

Acrolein

C3H4O

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID86594023

未命名化合物

PRODUCTS

生成物

HCID91005965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d78414cba0c247fc8b5ffbddbfc3f90c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH2:41]([N+:42]([CH2:43][CH3:44])([CH2:45][CH3:46])[CH2:47][CH3:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[CH:18](=[O:19])[CH:20]=[CH2:21].[Cl-:40].[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][c:14]([I:17])[cH:15][cH:16]1.[Na+:22].[Na+:23].[Na+:33].[Na+:34].[O-:24][C:25](=[O:26])[O-:27].[Pd+2:59].[S:28]([O-:29])([O-:30])(=[O:31])=[S:32]>>[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][c:14]([CH:21]=[CH:20][CH:18]=[O:19])[cH:15][cH:16]1