HRID192984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID171473

3-Isoxazolamine, 5-(1,1-dimethylethyl)-

C7H12N2O

结构：COc1cc2ncc(F)c(Oc3ccc4c(C(=O)O)cccc4c3)c2cc1OC

HCID24822773

未命名化合物

结构：COc1cc2ncc(F)c(Oc3ccc4c(C(=O)Cl)cccc4c3)c2cc1OC

HCID86608618

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncc(F)c(Oc3ccc4c(C(=O)Nc5cc(C(C)(C)C)on5)cccc4c3)c2cc1OC

HCID57774568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e058f152da84ccfa85e2e45125e8d09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Cl:59][C:60]([C:61]([Cl:62])=[O:63])=[O:64].[F:1][c:2]1[cH:3][n:4][c:5]2[cH:6][c:7]([O:28][CH3:29])[c:8]([O:26][CH3:27])[cH:9][c:10]2[c:11]1[O:12][c:13]1[cH:14][c:15]2[cH:16][cH:17][cH:18][c:19]([C:23](=[O:24])[Cl:25])[c:20]2[cH:21][cH:22]1.[F:30][c:31]1[cH:32][n:33][c:34]2[c:35]([c:36]1[O:37][c:38]1[cH:39][c:40]3[c:41]([cH:42][cH:43]1)[c:44]([C:45]([OH:46])=[O:47])[cH:48][cH:49][cH:50]3)[cH:51][c:52]([O:53][CH3:54])[c:55]([O:56][CH3:57])[cH:58]2.[NH2:65][c:66]1[n:67][o:68][c:69]([C:71]([CH3:72])([CH3:73])[CH3:74])[cH:70]1.[cH:75]1[cH:76][cH:77][n:78][cH:79][cH:80]1>>[F:1][c:2]1[cH:3][n:4][c:5]2[cH:6][c:7]([O:28][CH3:29])[c:8]([O:26][CH3:27])[cH:9][c:10]2[c:11]1[O:12][c:13]1[cH:14][c:15]2[cH:16][cH:17][cH:18][c:19]([C:23](=[O:24])[NH:65][c:66]3[n:67][o:68][c:69]([C:71]([CH3:72])([CH3:73])[CH3:74])[cH:70]3)[c:20]2[cH:21][cH:22]1