HRID679966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID312

Chloride

Cl-

2 次

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

7 次

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Borohydride

BH4-

HCID68184864

未命名化合物

PRODUCTS

产物

HCID77419938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-aa0451c1f599482da302c3ed199268ee
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

[BH4-:1].[CH3:3][c:4]1[n:5][cH:6][n:7](-[c:9]2[cH:10][cH:11][c:12]([NH:15][CH:16]([CH2:17][C:18](=[O:19])[NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH3:28])[cH:13][cH:14]2)[cH:8]1.[CH3:52][CH2:53][OH:54].[Cl-:35].[Cl-:37].[Cl:56][CH2:57][Cl:58].[ClH:51].[Mg+2:36].[Na+:2].[OH2:29].[OH2:30].[OH2:31].[OH2:32].[OH2:33].[OH2:34].[OH2:55].[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[CH3:3][c:4]1[n:5][cH:6][n:7](-[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14]2)[CH:18]([NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:17][CH:16]([CH3:28])[NH:15]3)[cH:8]1