HRID2329570

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

HCID2783396

2-Fluoropyridine-4-boronic acid

C5H5BFNO2

结构：CC(C)(C)C#Cc1ccc2c(c1)C1(COCC(N)=N1)c1cc(Br)cnc1O2

HCID67387295

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C#Cc1ccc2c(c1)C1(COCC(N)=N1)c1cc(-c3ccnc(F)c3)cnc1O2

HCID67387016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a18f9ddfe8db41f4bd4095bc43d33f7c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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