HRID155470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

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+

HCID57512861

5-(4-Methyl-1H-imidazol-1-yl)pyridin-2-amine

C9H10N4

HCID58447644

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(CC(=O)Nc3ccc(-n4cnc(C)c4)cn3)cc2)ccn1

HCID46926732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a1bdfaed3e447ff918b2e179016147f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

反应 SMILES

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