HRID301114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7912

Diisopropylamine

C6H15N

HCID140785

Ethyl 5-bromonicotinate

C8H8BrNO2

HCID2783132

2-Fluoro-4-methylphenylboronic acid

C7H8BFO2

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

HCID3675708

未命名化合物

HCID5360545

Sodium

3 次

PRODUCTS

生成物

HCID67338384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3ba9ab77a6a453d858b6abd8b7d4078
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12]1.[CH3:70][C:71]#[N:72].[CH:58]([NH:59][CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[F:13][c:14]1[c:15]([B:21]([OH:22])[OH:23])[cH:16][cH:17][c:18]([CH3:20])[cH:19]1.[Na+:69].[Na:24].[Na:25].[Na:26].[O-:65][C:66]([OH:67])=[O:68].[OH2:73].[P:27]([c:28]1[cH:29][c:30]([S:31]([OH:32])(=[O:33])=[O:34])[cH:35][cH:36][cH:37]1)([c:38]1[cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46][cH:47]1)[c:48]1[cH:49][c:50]([S:51]([OH:52])(=[O:53])=[O:54])[cH:55][cH:56][cH:57]1>>[c:2]1(-[c:15]2[c:14]([F:13])[cH:19][c:18]([CH3:20])[cH:17][cH:16]2)[cH:3][n:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12]1