HRID2324819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID101254

2-Fluoro-4-nitroaniline

C6H5FN2O2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID4574913

未命名化合物

结构：Cn1c(=O)cc(Cl)c2c(=O)n(Cc3ccccc3)cnc21

HCID59823057

5-Chloro-8-methyl-3-(phenylmethyl)pyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione

C15H12ClN3O2

PRODUCTS

生成物

结构：Cn1c(=O)cc(Nc2ccc([N+](=O)[O-])cc2F)c2c(=O)n(Cc3ccccc3)cnc21

HCID59823044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77ceafbcfe25476fa7ab1d99e5ce3790
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][n:10][c:11]2[c:12]([c:13]1=[O:14])[c:15]([Cl:21])[cH:16][c:17](=[O:20])[n:18]2[CH3:19].[CH3:33][C:34]1([CH3:35])[c:36]2[cH:37][cH:38][cH:39][c:40]([P:41]([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:54]2[O:55][c:56]2[c:57]1[cH:58][cH:59][cH:60][c:61]2[P:62]([c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:75][C:76]([CH3:77])([O-:78])[CH3:79].[F:22][c:23]1[c:24]([NH2:25])[cH:26][cH:27][c:28]([N+:30](=[O:31])[O-:32])[cH:29]1.[Na+:80].[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:125]=[C:126]([CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1)[CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[O:81]1[CH2:82][CH2:83][O:84][CH2:85][CH2:86]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Pd:87].[Pd:88]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][n:10][c:11]2[c:12]([c:13]1=[O:14])[c:15]([NH:25][c:24]1[c:23]([F:22])[cH:29][c:28]([N+:30](=[O:31])[O-:32])[cH:27][cH:26]1)[cH:16][c:17](=[O:20])[n:18]2[CH3:19]