HRID684677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID81531

Diisopropylethylamine

C8H19N

HCID2734336

2,6-Difluorophenylboronic acid

C6H5BF2O2

HCID2783180

6-Bromo-3-fluoro-2-methylpyridine

C6H5BrFN

HCID178420554

未命名化合物

PRODUCTS

产物

HCID59226527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-25b7afa582cc45d7a959a151b7abd8d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([F:9])[c:6]([CH3:8])[n:7]1.[CH3:30][CH2:31][OH:32].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[F:10][c:11]1[c:12]([B:18]([OH:19])[OH:20])[c:13]([F:17])[cH:14][cH:15][cH:16]1.[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:2]1(-[c:12]2[c:11]([F:10])[cH:16][cH:15][cH:14][c:13]2[F:17])[cH:3][cH:4][c:5]([F:9])[c:6]([CH3:8])[n:7]1