HRID148850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：CCCC1CC(=O)N(Cc2c(C(C)(C)C)nn3cc(Br)cnc23)C1

HCID57743077

1-[(6-Bromo-2-tertbutylpyrazolo(1,5-a)pyrimidin-3-yl)methyl]-4-propylpyrrolidin-2-one

C18H25BrN4O

PRODUCTS

生成物

结构：CCCC1CC(=O)N(Cc2c(C(C)(C)C)nn3cc(C4CC4)cnc23)C1

HCID53629123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8892102fcdd4315962381a9017f0e77
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

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