HRID309289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID19539

3-Phenoxybenzoic acid

C13H10O3

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID53404429

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2ncc(C(C)NC(=O)c3cccc(Oc4ccccc4)c3)nn2)cc(OC)c1OC

HCID58712000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f6167227ae14ea2bc5263ed5183fa6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[NH2:1][CH:2]([CH3:3])[c:4]1[cH:5][n:6][c:7]([NH:10][c:11]2[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]2)[n:8][n:9]1.[O:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[c:30]1[cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37][cH:38]1.[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[NH:1]([CH:2]([CH3:3])[c:4]1[cH:5][n:6][c:7]([NH:10][c:11]2[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]2)[n:8][n:9]1)[C:33]([c:32]1[cH:31][c:30]([O:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:38][cH:37][cH:36]1)=[O:34]