HRID153551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID10975759

2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C7H15BO3

HCID67004465

未命名化合物

HCID178461726

未命名化合物

PRODUCTS

生成物

结构：Cc1c(B2OC(C)(C)C(C)(C)O2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1

HCID59392638

1,1-Dimethylethyl 4-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-1-piperidinecarboxylate

C20H34BN3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60d1a5e31ec6469fa9b1bd69a28d9627
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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