HRID206783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID11776

Triphenylphosphine

C18H15P

HCID312714

1-chloro-2-iodo-4-nitrobenzene

C6H3ClINO2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

HCID178528054

未命名化合物

PRODUCTS

生成物

HCID40151923

2-(2-Chloro-5-nitrophenyl)pyridine

C11H7ClN2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-531637f54235433da5137ca2b65cbd77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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