HRID306791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID79613

Pyridine, 2-chloro-3-nitro-

C5H3ClN2O2

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

HCID178477795

未命名化合物

PRODUCTS

生成物

HCID329360

2-Methyl-3-nitropyridine

C6H6N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6219ba17e4cb4585809b6582756c87c0
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

[CH3:12][Zn+:13].[Cl-:11].[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10].[O:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1.[OH2:14].[cH:20]1[cH:21][cH:22][c:23]([P:24]([Pd:25]([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([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)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96]1>>[c:2]1([CH3:12])[n:3][cH:4][cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10]