HRID107813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID4192669

[3-(Pyrrolidin-1-yl)phenyl]boronic acid

C10H14BNO2

HCID44199730

(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclohexyl)-methanone

C14H16BrN3O

PRODUCTS

生成物

结构：CC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5)c4)nc23)CCCCC1

HCID59540689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24c2d4afa7474a0a9866e9a394fcfc47
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

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