HRID1569436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID57960593

未命名化合物

HCID57989187

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1nc(C(=O)N2CCOC3(CCN(Cc4cccc(CCO)c4F)CC3)C2)cs1

HCID57989379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c868bc8921241e8a034244fe1a89fe3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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