HRID950204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID21081527

1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid

C12H8FNO3

结构：Cc1c(OCCN2CCN(C)CC2)cn2ncnc(Oc3ccc(N)cc3F)c12

HCID21081609

未命名化合物

PRODUCTS

生成物

结构：Cc1c(OCCN2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c12

HCID16112844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d07d4aed2e164f0bbcbb5c712e679388
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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