Hydrochloric Acid → N-(3,4-Dichlorophenyl)-3-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,7-dihydroisoxazolo[4,5-c]pyridine-5(4H)-carboxamide

HRID 2339294Notes

Reaction equation

HRID 2339294 reaction equation
[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[CH3:85][CH2:86][O:87][CH2:88][CH3:89].[Cl:34][c:35]1[cH:36][c:37]([NH:42][C:43](=[O:44])[N:45]2[CH2:46][c:47]3[c:48]([o:51][n:52][c:53]3[C:54](=[O:55])[OH:56])[CH2:49][CH2:50]2)[cH:38][cH:39][c:40]1[Cl:41].[ClH:1].[ClH:2].[ClH:84].[O:90]=[CH:91][N:92]([CH3:93])[CH3:94].[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][C:12]3([CH2:13][CH2:14]2)[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[cH:7][cH:8]1.[n:64]1([O:65][P+:66]([N:67]([CH3:68])[CH3:69])([N:70]([CH3:71])[CH3:72])[N:73]([CH3:74])[CH3:75])[c:76]2[cH:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[n:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][C:12]3([CH2:13][CH2:14]2)[CH2:15][CH2:16][N:17]([C:54]([c:53]2[c:47]4[c:48]([o:51][n:52]2)[CH2:49][CH2:50][N:45]([C:43]([NH:42][c:37]2[cH:36][c:35]([Cl:34])[c:40]([Cl:41])[cH:39][cH:38]2)=[O:44])[CH2:46]4)=[O:55])[CH2:18][CH2:19]3)[cH:7][cH:8]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid3×HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 159408113-(Pyridin-4-yl)-3,9-diazaspiro[5.5]undecaneHCID 59483858HCID 59483858, compound

Product 1

HCID 59483817N-(3,4-Dichlorophenyl)-3-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)-6,7-dihydroisoxazolo[4,5-c]pyridine-5(4H)-carboxamide

Sources & evidence

ORD record
ord-035023b9a9964788848d60aa45d685d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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