HRID92236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

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+

HCID23002295

未命名化合物

HCID59384425

未命名化合物

PRODUCTS

产物

HCID70862442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f4bc2834019d45599aa90e4cdb1854f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:17])([CH3:18])[O:10][CH2:11][C:12]1([C:13](=[O:14])[OH:15])[CH3:16].[CH2:52]([CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59])[S:60][c:61]1[c:62]([C:71]([F:72])([F:73])[F:74])[cH:63][c:64]([C:65](=[O:66])[NH:67][NH2:68])[cH:69][cH:70]1.[CH2:85]1[O:86][CH2:87][CH2:88][CH2:89]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Na+:79].[O-:75][C:76]([OH:77])=[O:78].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[n:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:17])([CH3:18])[O:10][CH2:11][C:12]1([C:13](=[O:15])[NH:68][NH:67][C:65]([c:64]1[cH:63][c:62]([C:71]([F:72])([F:73])[F:74])[c:61]([S:60][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59])[cH:70][cH:69]1)=[O:66])[CH3:16]