HRID685086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

HCID9877517

N-ethyl-6-methyl-6-fluoroheptane amine

C10H22FN

反应SMILES：CS(=O)(=O)Nc1ccc(C2CCC(O)O2)cc1

HCID9899850

未命名化合物

PRODUCTS

产物

反应SMILES：CCN(CCCCCC(C)(C)F)CCCC(O)c1ccc(NS(C)(=O)=O)cc1

HCID9823219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3e651be88d6a44e2bf10b83304180beb
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:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH2:18]([CH3:19])[NH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26]([CH3:27])([F:28])[CH3:29].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[Na+:43].[OH:1][CH:2]1[CH2:3][CH2:4][CH:5]([c:7]2[cH:8][cH:9][c:10]([NH:13][S:14](=[O:15])(=[O:16])[CH3:17])[cH:11][cH:12]2)[O:6]1>>[CH2:2]([CH2:3][CH2:4][CH:5]([OH:6])[c:7]1[cH:8][cH:9][c:10]([NH:13][S:14](=[O:15])(=[O:16])[CH3:17])[cH:11][cH:12]1)[N:20]([CH2:18][CH3:19])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26]([CH3:27])([F:28])[CH3:29]