Hydrochloric Acid → 1,1-Dimethylethyl 4-{[3-({[(3-bromo-4-fluorophenyl)methyl]amino}carbonyl)phenyl]methyl)-1-piperidinecarboxylate

HRID 1218550Notes

Reaction equation

HRID 1218550 reaction equation
[Br:53][c:54]1[cH:55][c:56]([CH2:61][NH2:62])[cH:57][cH:58][c:59]1[F:60].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][c:15]2[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][cH:23]2)[CH2:12][CH2:13]1.[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:63][CH:64]([Cl:65])[Cl:66].[ClH:52].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][c:15]2[cH:16][c:17]([C:18](=[O:19])[NH:62][CH2:61][c:56]3[cH:55][c:54]([Br:53])[c:59]([F:60])[cH:58][cH:57]3)[cH:21][cH:22][cH:23]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6212ChloroformHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 2724902(3-Bromo-4-fluorophenyl)methanamineHCID 450739593-((1-(tert-Butoxycarbonyl)piperidin-4-yl)methyl)benzoic acid

Product 1

HCID 577367091,1-Dimethylethyl 4-{[3-({[(3-bromo-4-fluorophenyl)methyl]amino}carbonyl)phenyl]methyl)-1-piperidinecarboxylate

Sources & evidence

ORD record
ord-55cc0baa35c349bdade08c5e2c287517
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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