HRID1235922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID7504

Benzylamine

C7H9N

HCID8857

Ethyl acetate

C4H8O2

HCID167232

Periodate ion

IO4-

HCID2724942

未命名化合物

HCID68808370

6,7,8,9-Tetrahydro-5H-6,9-methanocyclohepta[b]pyridine-7,8-diol

C11H13NO2

PRODUCTS

生成物

HCID59837841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fd83ba7dacc4e3c98181b69b02bddd7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[C:43](=[O:44])([O-:45])[OH:46].[CH3:48][CH2:49][OH:50].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH:1]12[c:2]3[n:3][cH:4][cH:5][cH:6][c:7]3[CH2:8][CH:9]([CH:10]([OH:12])[CH:11]1[OH:13])[CH2:14]2.[Cl:52][CH:53]([Cl:54])[CH3:55].[I+3:15]([O-:16])([O-:17])([O-:18])[O-:19].[NH2:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[Na+:20].[Na+:42].[Na+:47].[OH2:51]>>[CH:1]12[c:2]3[n:3][cH:4][cH:5][cH:6][c:7]3[CH2:8][CH:9]([CH2:10][N:21]([CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:11]1)[CH2:14]2