HRID2337629

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+

结构：Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c(F)c1

HCID58158605

未命名化合物

HCID58158636

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c(=O)n1-c1ccc(F)cc1

HCID58158609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2ddb1c085be4214afaf4ab2717cbfcd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:25]([CH3:26])[c:27]1[cH:28][cH:29][c:30]([C:41](=[O:42])[OH:43])[c:31](=[O:40])[n:32]1-[c:33]1[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]1.[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[NH2:1][c:2]1[cH:3][c:4]([F:24])[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-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[NH:1]([c:2]1[cH:3][c:4]([F:24])[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:41]([c:30]1[cH:29][cH:28][c:27]([CH2:25][CH3:26])[n:32](-[c:33]2[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]2)[c:31]1=[O:40])=[O:42]