HRID281122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID4641409

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

C10H15N6O+

HCID61702587

未命名化合物

HCID68554408

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1c(C)cc2cc(F)ccc21

HCID25099473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ff6061e9c204f498b5fe3c4b70ccc3e
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

[CH3:79][CH2:80][O:81][C:82]([CH3:83])=[O:84].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:16])[OH:17])[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1.[F:52][c:53]1[cH:54][c:55]2[cH:56][c:57]([CH3:63])[n:58]([NH2:62])[c:59]2[cH:60][cH:61]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[OH:18][n:19]1[c:20]2[n:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1.[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:17])[NH:62][n:58]3[c:57]([CH3:63])[cH:56][c:55]4[cH:54][c:53]([F:52])[cH:61][cH:60][c:59]43)[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1