HRID2134564

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+

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N3CCN(CC(=O)O)CC3)cc1OCC2

HCID58205019

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N3CCN(CC(N)=O)CC3)cc1OCC2

HCID58204731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cdfceab6d1945feb19786c0c4f136e8
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

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