HRID691644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID11011301

tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate

C15H23N3O2

HCID15025843

6,8-Dibromoimidazo[1,2-a]pyrazine

C6H3Br2N3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(Br)cn4ccnc34)cc2)CC1

HCID59754732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bf4fda1386a4952afee0dbe0e82b298
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([Br:11])[c:5]2[n:6]([cH:7]1)[cH:8][cH:9][n:10]2.[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][N:22]([c:25]2[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]2)[CH2:23][CH2:24]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][C:39]#[N:40].[CH3:42][N:43]([CH3:44])[C:45](=[O:46])[CH3:47].[K+:36].[K+:37].[OH2:41]>>[Br:1][c:2]1[n:3][c:4]([NH:31][c:28]2[cH:27][cH:26][c:25]([N:22]3[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]3)[cH:30][cH:29]2)[c:5]2[n:6]([cH:7]1)[cH:8][cH:9][n:10]2