HRID167468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID4837

Piperazine

C4H10N2

HCID8857

Ethyl acetate

C4H8O2

HCID67675

4-Bromo-1,2-difluorobenzene

C6H3BrF2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID2783122

1-(3,4-difluorophenyl)piperazine

C10H12F2N2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1ce553c557e4d49ac33d630e2b36559
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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