Hydrochloric Acid → 1-t-butoxycarbonyl-4-{1-(4-fluorophenyl)-2-[4-(4-naphthalen-1-yl-butyl)piperazin-1-yl]-2-oxoethyl}-3,6-dihydro-2H-pyridine

HRID 690889Notes

Reaction equation

HRID 690889 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]([CH:14]([c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[C:22](=[O:23])[OH:24])=[CH:12][CH2:13]1.[CH3:48][NH:49][CH:50]([NH:51][CH3:52])[CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[CH3:82][CH2:83][N:84]([CH2:85][CH3:86])[CH2:87][CH3:88].[ClH:25].[ClH:26].[ClH:47].[OH2:60].[OH:61][n:62]1[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1.[c:27]1([CH2:37][CH2:38][CH2:39][CH2:40][N:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[cH:28][cH:29][cH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([CH:14]([c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[C:22](=[O:24])[N:44]2[CH2:43][CH2:42][N:41]([CH2:40][CH2:39][CH2:38][CH2:37][c:27]3[cH:28][cH:29][cH:30][c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]34)[CH2:46][CH2:45]2)=[CH: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 223186591-t-butoxycarbonyl-4-[carboxy-(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine

Product 1

HCID 223186421-t-butoxycarbonyl-4-{1-(4-fluorophenyl)-2-[4-(4-naphthalen-1-yl-butyl)piperazin-1-yl]-2-oxoethyl}-3,6-dihydro-2H-pyridine

Sources & evidence

ORD record
ord-3e56eb0fada849a8942262d3b9a610ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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