HRID125823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

9 次

HCID10795

1,1-Dimethoxyethane

C4H10O2

HCID79613

Pyridine, 2-chloro-3-nitro-

C5H3ClN2O2

HCID104810

Barium (II) ion

Ba+2

HCID22237855

未命名化合物

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

PRODUCTS

生成物

结构：Cc1cc(C)c(-c2ncccc2[N+](=O)[O-])c(C)c1

HCID22249491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6887d430ac9a48cebec4cb02eeb40844
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Ba+2:33].[CH3:35][O:36][CH:37]([O:38][CH3:39])[CH3:40].[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10].[OH-:32].[OH-:34].[OH2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH2:30].[OH2:31].[OH2:41].[c:11]1([CH3:23])[c:12]([O:19][B:20]([OH:21])[OH:22])[c:13]([CH3:18])[cH:14][c:15]([CH3:17])[cH:16]1.[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[c:2]1(-[c:12]2[c:11]([CH3:23])[cH:16][c:15]([CH3:17])[cH:14][c:13]2[CH3:18])[n:3][cH:4][cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10]