HRID126166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID2734648

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C11H16BNO2

结构：CC(C)(C)OC(=O)N1C2C=C(OS(=O)(=O)C(F)(F)F)CC1CC2

HCID22648094

tert-Butyl 3-[(trifluoromethanesulfonyl)oxy]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

C13H18F3NO5S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C2C=C(c3ccncc3)CC1CC2

HCID67268174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61fbc7d7284c43ff89b770d8af7d587b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:24][C:25]1([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30][B:31]([c:32]2[cH:33][cH:34][n:35][cH:36][cH:37]2)[O:38]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl-:40].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][C:7]1=[CH:8][CH:9]2[CH2:10][CH2:11][CH:12]([CH2:13]1)[N:14]2[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])(=[O:22])=[O:23].[K+:46].[K+:47].[K+:48].[Li+:39].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[OH2:55].[P:41]([O-:42])([O-:43])([O-:44])=[O:45]>>[C:7]1([c:32]2[cH:33][cH:34][n:35][cH:36][cH:37]2)=[CH:8][CH:9]2[CH2:10][CH2:11][CH:12]([CH2:13]1)[N:14]2[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21]