HRID153214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID78412

Phenyl dihydrogen orthoborate

C6H7BO3

HCID2724035

6-Chloro-3-nitropyridin-2-ylamine

C5H4ClN3O2

反应SMILES：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

产物

反应SMILES：Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-]

HCID10560619

3-nitro-6-phenylpyridin-2-amine

C11H9N3O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-06310d5099cc4db283c2fa980bc8fb5d
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

[C:118]([O:119][CH2:120][CH3:121])(=[O:122])[CH3:123].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([NH2:8])[n:7]1.[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[O:113]1[CH2:114][CH2:115][CH2:116][CH2:117]1.[O:124]1[CH2:125][CH2:126][CH2:127][CH2:128]1.[OH2:112].[c:12]1([O:18][B:19]([OH:20])[OH:21])[cH:13][cH:14][cH:15][cH:16][cH:17]1.[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([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)([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1>>[c:2]1(-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([NH2:8])[n:7]1