HRID947427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

2 次

HCID19660

Carbonate

CO3-2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID2783270

2-Fluoro-3-pyridylboronic acid

C5H5BFNO2

结构：CC12CN(CCCn3nc(Br)c(=O)[nH]c3=O)CC1(c1ccc(C(F)(F)F)cc1)C2

HCID68653124

未命名化合物

PRODUCTS

生成物

结构：CC12CN(CCCn3nc(-c4cccnc4F)c(=O)[nH]c3=O)CC1(c1ccc(C(F)(F)F)cc1)C2

HCID59496095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ce53387f77e4ee09a9fc753e9261328
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[c:3](=[O:29])[nH:4][c:5](=[O:28])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([CH3:27])[CH2:14][C:15]3([c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[CH2:16]2)[n:7]1.[CH3:71][O:72][CH2:73][CH2:74][O:75][CH3:76].[CH3:78][O:79][CH2:80][CH2:81][O:82][CH3:83].[F:30][c:31]1[n:32][cH:33][cH:34][cH:35][c:36]1[B:37]([OH:38])[OH:39].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:77].[c:46]1(-[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][c:57]1[P:58]([CH:59]1[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1)[CH:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1>>[c:2]1(-[c:36]2[c:31]([F:30])[n:32][cH:33][cH:34][cH:35]2)[c:3](=[O:29])[nH:4][c:5](=[O:28])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([CH3:27])[CH2:14][C:15]3([c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[CH2:16]2)[n:7]1