HRID1116640

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+

HCID21081529

1-(4-Fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

C13H10FNO3

结构：Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)cc1Cl

HCID58158556

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)cc2Cl)c(=O)n1-c1ccc(F)cc1

HCID58158489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b1435b6c6c8422da6827f631d00aaad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[F:25][c:26]1[cH:27][cH:28][c:29](-[n:32]2[c:33](=[O:42])[c:34]([C:39](=[O:40])[OH:41])[cH:35][cH:36][c:37]2[CH3:38])[cH:30][cH:31]1.[NH2:1][c:2]1[c:3]([Cl:24])[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-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[NH:1]([c:2]1[c:3]([Cl:24])[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:39]([c:34]1[c:33](=[O:42])[n:32](-[c:29]2[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]2)[c:37]([CH3:38])[cH:36][cH:35]1)=[O:40]