HRID108429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

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

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

HCID19576655

未命名化合物

HCID59620135

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccccc1Nc1cc(Nc2cnn(CC(=O)O)c2)ncc1F

HCID67075439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df8a64c9f7b8418b84ad1dbb6bf3d932
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

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