HRID663135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID14268

4-Bromopyridine

C5H4BrN

HCID105144

Palladium(2+)

Pd+2

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

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID4574913

未命名化合物

HCID18679487

未命名化合物

PRODUCTS

生成物

结构：CN(CCCCOc1ccc2c(ccn2-c2ccc(F)cc2)c1)c1ccncc1

HCID10178422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74c80ac40b03440caa40a2bffb3d7626
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:56][c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1.[CH3:49][C:50]([CH3:51])([O-:52])[CH3:53].[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[ClH:55].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][NH:22][CH3:23])[cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[Na+:54].[Na+:64].[O-:73][C:74]([CH3:75])=[O:76].[O-:77][C:78]([CH3:79])=[O:80].[OH-:63].[Pd+2:72]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]([CH3:23])[c:57]4[cH:58][cH:59][n:60][cH:61][cH:62]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1