HRID1573117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

HCID5462224

Magnesium

结构：CCC(CC(=O)NC(=O)OCc1ccccc1)Nc1ccc(C(F)(F)F)cc1

HCID69328092

未命名化合物

PRODUCTS

生成物

结构：CCC1CC(NC(=O)OCc2ccccc2)c2cc(C(F)(F)F)ccc2N1

HCID57239182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-693f33c9e443460499ae06dd3e915b30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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