HRID697339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID31214

Ethyl orthoformate

C7H16O3

HCID78605

4-Phenylcyclohexanone

C12H14O

HCID2724942

未命名化合物

HCID54573798

未命名化合物

PRODUCTS

产物

HCID19693983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a562696713a04d9fb76672983c454661
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[C:56](=[O:57])([O-:58])[OH:59].[CH2:24]([CH3:25])[c:26]1[n:27][cH:28][cH:29][c:30]([NH2:33])[c:31]1[Br:32].[CH3:52][C:53](=[O:54])[OH:55].[CH3:61][CH2:62][OH:63].[CH:14]([O:15][CH2:16][CH3:17])([O:18][CH2:19][CH3:20])[O:21][CH2:22][CH3:23].[Cl:34][CH:35]([Cl:36])[CH3:37].[Na+:51].[Na+:60].[c:1]1([CH:7]2[CH2:8][CH2:9][C:10](=[O:13])[CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[CH2:8][CH2:9][CH:10]([NH:33][c:30]3[cH:29][cH:28][n:27][c:26]([CH2:24][CH3:25])[c:31]3[Br:32])[CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1