HRID805760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID136706

Ethene, 1,1-dimethoxy-

C4H8O2

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

结构：NC1=NC(c2cccc(OS(=O)(=O)C(F)(F)F)c2)(c2ccc(F)c(Br)c2)c2ccccc21

HCID59596268

未命名化合物

PRODUCTS

生成物

结构：NC1=NC(c2cccc(OS(=O)(=O)C(F)(F)F)c2)(c2ccc(F)c(-c3cncnc3)c2)c2ccccc21

HCID24874865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b158b261c9a4f708618e4b17192dc2e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:43][C:44](=[O:45])[O-:46].[CH3:47][O:48][C:49]([O:50][CH3:51])=[CH2:52].[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:6][c:7]1[cH:8][c:9]([C:13]2([c:23]3[cH:24][c:25]([Br:30])[c:26]([F:29])[cH:27][cH:28]3)[N:14]=[C:15]([NH2:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[cH:10][cH:11][cH:12]1)([F:31])[F:32].[K+:42].[OH2:53].[n:33]1[cH:34][n:35][cH:36][c:37]([B:39]([OH:40])[OH:41])[cH:38]1>>[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:6][c:7]1[cH:8][c:9]([C:13]2([c:23]3[cH:24][c:25](-[c:37]4[cH:36][n:35][cH:34][n:33][cH:38]4)[c:26]([F:29])[cH:27][cH:28]3)[N:14]=[C:15]([NH2:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[cH:10][cH:11][cH:12]1)([F:31])[F:32]