HRID169618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID31374

Dimethylacetamide

C4H9NO

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：Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)cc1

HCID58158625

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)cc1)c1cccn(-c2ccc(F)cc2)c1=O

HCID58158574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a366bf944a7b40d98ac9c5638bec4d64
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

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