HRID209910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

HCID2764315

Methyl 5-bromo-6-hydroxynicotinate

C7H6BrNO3

结构：O=S(=O)([O-])c1cccc(P(c2cccc(S(=O)(=O)[O-])c2)c2cccc(S(=O)(=O)[O-])c2)c1

HCID3675707

未命名化合物

PRODUCTS

生成物

HCID67339481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0064803b713b4766865582c73b0d2a3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:9](=[O:10])[O:11][CH3:12])[cH:5][nH:6][c:7]1=[O:8].[CH:58]([NH:59][CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Na+:23].[Na+:56].[Na+:57].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:24].[OH2:70].[OH:13][B:14]([OH:15])[c:16]1[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]1.[S:25]([c:26]1[cH:27][c:28]([P:29]([c:30]2[cH:31][cH:32][cH:33][c:34]([S:35]([O-:36])(=[O:37])=[O:38])[cH:39]2)[c:40]2[cH:41][cH:42][cH:43][c:44]([S:45]([O-:46])(=[O:47])=[O:48])[cH:49]2)[cH:50][cH:51][cH:52]1)([O-:53])(=[O:54])=[O:55]>>[c:2]1(-[c:16]2[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]2)[cH:3][c:4]([C:9](=[O:10])[O:11][CH3:12])[cH:5][nH:6][c:7]1=[O:8]