HRID179958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

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+

HCID11737525

Tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

C14H22N4O2

HCID58447644

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)ccn1

HCID58447838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9f07397f0154b7d86e527916046bf1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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