HRID206076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：CC(C)(C)OC(=O)N1CC=C(OS(=O)(=O)C(F)(F)F)CC1

HCID10991161

tert-Butyl 4-[(trifluoromethanesulfonyl)oxy]-3,6-dihydropyridine-1(2H)-carboxylate

C11H16F3NO5S

HCID59006378

未命名化合物

PRODUCTS

产物

反应SMILES：COc1nc2ccn(C)c2cc1C1=CCN(C(=O)OC(C)(C)C)CC1

HCID59006345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3b6225d307bd4d70b0c79e4b639a9587
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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