HRID172179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：COc1cc(OCCF)c(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3cccc(C(=O)O)n3)c(=O)[nH]2)c1

HCID136173831

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCCF)c(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3cccc(N)n3)c(=O)[nH]2)c1

HCID136173593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50694c2d74304290844d3cfed615638c
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

[CH2:67]1[O:68][CH2:69][CH2:70][O:71][CH2:72]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[F:25][c:26]1[c:27]([CH:38]([c:39]2[n:40][n:41](-[c:45]3[cH:46][cH:47][cH:48][c:49]([C:51]([OH:52])=[O:53])[n:50]3)[c:42](=[O:44])[nH:43]2)[NH:54][c:55]2[cH:56][cH:57][c:58](-[c:61]3[n:62][o:63][c:64]([CH3:66])[n:65]3)[cH:59][cH:60]2)[cH:28][c:29]([O:36][CH3:37])[cH:30][c:31]1[O:32][CH2:33][CH2:34][F:35].[c:8]1([P:9]([N:10]=[N+:11]=[N-:12])([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[NH2:3][c:49]1[cH:48][cH:47][cH:46][c:45](-[n:41]2[n:40][c:39]([CH:38]([c:27]3[c:26]([F:25])[c:31]([O:32][CH2:33][CH2:34][F:35])[cH:30][c:29]([O:36][CH3:37])[cH:28]3)[NH:54][c:55]3[cH:56][cH:57][c:58](-[c:61]4[n:62][o:63][c:64]([CH3:66])[n:65]4)[cH:59][cH:60]3)[nH:43][c:42]2=[O:44])[n:50]1