HRID2156742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID644041

Methanaminium

CH6N+

HCID4641409

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

C10H15N6O+

HCID58101468

未命名化合物

HCID58551908

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccc1-c1nc2cccnc2s1)c1nc(-c2ccccc2)sc1CCC1OCCO1

HCID58551901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-502950c6775e424e879c4cc0673d58ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][NH3+:2].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Na+:84].[O-:80][C:81]([OH:82])=[O:83].[O:34]1[CH:35]([CH2:39][CH2:40][c:41]2[c:42]([C:52](=[O:53])[OH:54])[n:43][c:44](-[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[s:45]2)[O:36][CH2:37][CH2:38]1.[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[P-:3]([F:4])([F:5])([F:6])([F:7])([F:8])[F:9].[n:10]1([O:11][C:12]([N:13]([CH3:14])[CH3:15])=[N+:16]([CH3:17])[CH3:18])[c:19]2[n:20][cH:21][cH:22][cH:23][c:24]2[n:25][n:26]1.[n:64]1[c:65](-[c:73]2[c:74]([NH2:75])[cH:76][cH:77][cH:78][cH:79]2)[s:66][c:67]2[n:68][cH:69][cH:70][cH:71][c:72]12>>[O:34]1[CH:35]([CH2:39][CH2:40][c:41]2[c:42]([C:52](=[O:54])[NH:75][c:74]3[c:73](-[c:65]4[n:64][c:72]5[c:67]([s:66]4)[n:68][cH:69][cH:70][cH:71]5)[cH:79][cH:78][cH:77][cH:76]3)[n:43][c:44](-[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[s:45]2)[O:36][CH2:37][CH2:38]1