HRID672164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID123472

Diethylaminosulfur trifluoride

C4H10F3NS

反应SMILES：CC(c1ccccc1)N1CC(CO)(C(=O)OC(C)(C)C)C(C)C1=O

HCID178436047

未命名化合物

PRODUCTS

产物

反应SMILES：CC(c1ccccc1)N1CC(CF)(C(=O)OC(C)(C)C)C(C)C1=O

HCID178436039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e5ccc0f5d8d348379b222e894ffe6684
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

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