HRID295371

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

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

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID2762713

2,6-Difluoropyridine-3-boronic acid

C5H4BF2NO2

HCID178426166

未命名化合物

PRODUCTS

生成物

结构：CC1CCCN1CCc1cc2ccc(-c3ccc(F)nc3F)cc2cn1

HCID178426168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7e7020091614ef1a72dbd072fb933a2
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][cH:4][c:5]2[cH:6][c:7]([CH2:12][CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[n:8][cH:9][c:10]2[cH:11]1.[C:56](=[O:57])([O-:58])[O-:59].[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2-[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[CH:62]([OH:63])([CH3:64])[CH3:65].[Cl:66][CH2:67][Cl:68].[F:20][c:21]1[n:22][c:23]([F:30])[cH:24][cH:25][c:26]1[B:27]([OH:28])[OH:29].[Na+:60].[Na+:61].[Pd:69]([Cl:70])[Cl:71].[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[c:2]1(-[c:26]2[c:21]([F:20])[n:22][c:23]([F:30])[cH:24][cH:25]2)[cH:3][cH:4][c:5]2[cH:6][c:7]([CH2:12][CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[n:8][cH:9][c:10]2[cH:11]1