HRID173067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID1514290

Azetidin-3-ol

C3H7NO

HCID71087543

未命名化合物

PRODUCTS

生成物

HCID71087762

2-Pyridinecarboxylic acid, 6-(cyclopropylmethoxy)-5-(3-hydroxy-1-azetidinyl)-

C13H16N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7eec80d8288540b0bd6954c83a5c9a56
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

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