HRID180207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID2756219

未命名化合物

HCID4641409

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

C10H15N6O+

结构：CN1C(=O)C(F)(F)CN(C2CCC2)c2nc(Nc3ccc(C(=O)O)cc3)ncc21

HCID44547206

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)C(F)(F)CN(C2CCC2)c2nc(Nc3ccc(C(=O)N4CCC(NC(=O)OCC5c6ccccc6-c6ccccc65)CC4)cc3)ncc21

HCID67354975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b8095cafb6d474bb21f12b945a66843
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][N:38]([C:39](=[N+:40]([CH3:41])[CH3:42])[O:43][n:44]1[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1)[CH3:53].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[CH3:92][N:93]([CH3:94])[CH:95]=[O:96].[CH:1]1([N:5]2[c:6]3[c:7]([cH:16][n:17][c:18]([NH:20][c:21]4[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]4)[n:19]3)[N:8]([CH3:15])[C:9](=[O:14])[C:10]([F:12])([F:13])[CH2:11]2)[CH2:2][CH2:3][CH2:4]1.[ClH:61].[F:54][P-:55]([F:56])([F:57])([F:58])([F:59])[F:60].[cH:62]1[cH:63][cH:64][cH:65][c:66]2[c:74]1[CH:73]([CH2:75][O:76][C:77]([NH:78][CH:79]1[CH2:80][CH2:81][NH:82][CH2:83][CH2:84]1)=[O:85])[c:72]1[c:67]-2[cH:68][cH:69][cH:70][cH:71]1>>[CH:1]1([N:5]2[c:6]3[c:7]([cH:16][n:17][c:18]([NH:20][c:21]4[cH:22][cH:23][c:24]([C:25](=[O:26])[N:82]5[CH2:81][CH2:80][CH:79]([NH:78][C:77]([O:76][CH2:75][CH:73]6[c:72]7[c:67]([cH:68][cH:69][cH:70][cH:71]7)-[c:66]7[cH:65][cH:64][cH:63][cH:62][c:74]76)=[O:85])[CH2:84][CH2:83]5)[cH:28][cH:29]4)[n:19]3)[N:8]([CH3:15])[C:9](=[O:14])[C:10]([F:12])([F:13])[CH2:11]2)[CH2:2][CH2:3][CH2:4]1