HRID1144034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7672

Phenyl isocyanate

C7H5NO

HCID8028

Tetrahydrofuran

C4H8O

HCID24014

未命名化合物

结构：c1ccc(C2COC(c3cccc(C4=NC(c5ccccc5)CO4)n3)=N2)cc1

HCID3921300

4-phenyl-2-[6-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyridin-2-yl]-4,5-dihydro-1,3-oxazole

C23H19N3O2

结构：COc1ccc(C(OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID11092822

未命名化合物

结构：COc1ccc(C(OCC2OC(n3ccc(=O)[nH]c3=O)C(OC(=O)Nc3ccccc3)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID178491421

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2OC(=O)Nc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID178491418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2400af9ea3c440fa50da3225f1064aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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