Hydrochloric Acid → Methyl 3-(4-{[4-(4-{[3-(3,3-dimethyl-1-piperidinyl)propyl]oxy}phenyl)-1-piperidinyl]carbonyl}-1-naphthalenyl)propanoate

HRID 122127Notes

Reaction equation

HRID 122127 reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:16](=[O:17])[OH:18])[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12)=[O:19].[CH3:55][C:56]1([CH3:78])[CH2:57][N:58]([CH2:62][CH2:63][CH2:64][O:65][c:66]2[cH:67][cH:68][c:69]([CH:72]3[CH2:73][CH2:74][NH:75][CH2:76][CH2:77]3)[cH:70][cH:71]2)[CH2:59][CH2:60][CH2:61]1.[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[ClH:53].[ClH:54].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:16](=[O:18])[N:75]2[CH2:74][CH2:73][CH:72]([c:69]3[cH:68][cH:67][c:66]([O:65][CH2:64][CH2:63][CH2:62][N:58]4[CH2:57][C:56]([CH3:55])([CH3:78])[CH2:61][CH2:60][CH2:59]4)[cH:71][cH:70]3)[CH2:77][CH2:76]2)[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12)=[O:19]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 598649993,3-Dimethyl-1-[3-(4-piperidin-4-ylphenoxy)propyl]piperidineHCID 673464244-[3-(Methyloxy)-3-oxopropyl]-1-naphthalenecarboxylic acid

Product 1

HCID 67347576Methyl 3-(4-{[4-(4-{[3-(3,3-dimethyl-1-piperidinyl)propyl]oxy}phenyl)-1-piperidinyl]carbonyl}-1-naphthalenyl)propanoate

Sources & evidence

ORD record
ord-b6c65c2298de446da80db589e467635b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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