Hydrochloric Acid → 1-t-Butoxycarbonyl-4-{1-(4-fluorophenyl)-2-[4-(naphthalen-1-yl-butyl)piperazin-1-yl]-2-oxoethyl}-4-hydroxypiperidine

HRID 1228755Notes

Reaction equation

HRID 1228755 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([CH:15]([c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[C:23](=[O:24])[OH:25])[CH2:12][CH2:13]1.[CH3:49][NH:50][CH:51]([NH:52][CH3:53])[CH2:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH3:60].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH3:83][CH2:84][N:85]([CH2:86][CH3:87])[CH2:88][CH3:89].[ClH:26].[ClH:27].[ClH:48].[OH2:61].[OH:62][n:63]1[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1.[c:28]1([CH2:38][CH2:39][CH2:40][CH2:41][N:42]2[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]2)[cH:29][cH:30][cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([CH:15]([c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[C:23](=[O:25])[N:45]2[CH2:44][CH2:43][N:42]([CH2:41][CH2:40][CH2:39][CH2:38][c:28]3[cH:29][cH:30][cH:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]34)[CH2:47][CH2:46]2)[CH2:12][CH2:13]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid3×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 17850645Piperazine, 1-[4-(1-naphthalenyl)butyl]-HCID 183290821-Ethyl-(3,3-dimethylaminopropyl)carbodiimideHCID 223186301-t-Butoxycarbonyl-4-[carboxy-(4-fluorophenyl)methyl]-4-hydroxypiperidine

Product 1

HCID 178506631-t-Butoxycarbonyl-4-{1-(4-fluorophenyl)-2-[4-(naphthalen-1-yl-butyl)piperazin-1-yl]-2-oxoethyl}-4-hydroxypiperidine

Sources & evidence

ORD record
ord-ae1d3c4b220f43d9a967aa6832674521
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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