HRID2320481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID4837

Piperazine

C4H10N2

HCID137275

1-Bromo-4-chloro-2-fluorobenzene

C6H3BrClF

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

HCID2783123

1-(4-chloro-2-fluorophenyl)piperazine

C10H12ClFN2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc73b030279b4bb8aca6607b1569230e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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