HRID1240868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID225209

1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylic acid

C8H8N4O4

HCID3163333

1-isopropylpiperidin-4-amine

C8H18N2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

PRODUCTS

生成物

结构：CC(C)N1CCC(NC(=O)c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CC1

HCID86595877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccf91f72ba094ebfb788896d0ed9f58c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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