Hydrochloric Acid → [(3RS, 4RS)-3-(4-Chloro-phenyl)-4-(5-chloro-pyridin-2-yloxymethyl)-piperidin-1-yl]-[4-(3-methyl-[1,2,4]oxadiazol-5-yl)-phenyl]-methanone

HRID 214999Notes

Reaction equation

HRID 214999 reaction equation
[CH3:1][c:2]1[n:3][o:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15]2)[n:6]1.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:49][c:50]1[cH:51][cH:52][c:53]([O:56][CH2:57][CH:58]2[CH:59]([c:64]3[cH:65][cH:66][c:67]([Cl:70])[cH:68][cH:69]3)[CH2:60][NH:61][CH2:62][CH2:63]2)[n:54][cH:55]1.[ClH:71].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:16]([F:17])([F:18])([F:19])([F:20])([F:21])[F:22].[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][c:2]1[n:3][o:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([C:11](=[O:13])[N:61]3[CH2:60][CH:59]([c:64]4[cH:65][cH:66][c:67]([Cl:70])[cH:68][cH:69]4)[CH:58]([CH2:57][O:56][c:53]4[cH:52][cH:51][c:50]([Cl:49])[cH:55][n:54]4)[CH2:63][CH2:62]3)[cH:14][cH:15]2)[n:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 221101114-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acidHCID 712055575-chloro-2-[(3RS, 4RS)-3-(4-chloro-phenyl)-piperidin-4-ylmethoxy]-pyridine

Product 1

HCID 68473932[(3RS, 4RS)-3-(4-Chloro-phenyl)-4-(5-chloro-pyridin-2-yloxymethyl)-piperidin-1-yl]-[4-(3-methyl-[1,2,4]oxadiazol-5-yl)-phenyl]-methanone

Sources & evidence

ORD record
ord-1af0cadf25cf4e1b8f9b6564cb72c11d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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