HRID320035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

HCID11244775

Tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate

C14H20BrN3O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC3)cn2)CC1

HCID67381017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f45e22cc52b47b0afc5a2a88c5b37aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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