Hydrochloric Acid → 4-({3-[4-(Biphenyl-2-ylcarbamoyloxy)piperidin-1-yl]-propionyl}methylamino)butyric acid methyl ester

HRID 108956Notes

Reaction equation

HRID 108956 reaction equation
[CH3:2][O:3][C:4]([CH2:5][CH2:6][CH2:7][NH:8][CH3:9])=[O:10].[CH3:45][N+:46]([CH3:47])=[C:48]([N:49]([CH3:50])[CH3:51])[O:52][n:53]1[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:71][CH2:72][Cl:73].[ClH:1].[OH2:74].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[c:11]1(-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:12]([NH:17][C:18](=[O:19])[O:20][CH:21]2[CH2:22][CH2:23][N:24]([CH2:27][CH2:28][C:29](=[O:30])[OH:31])[CH2:25][CH2:26]2)[cH:13][cH:14][cH:15][cH:16]1>>[CH3:2][O:3][C:4]([CH2:5][CH2:6][CH2:7][NH:8][CH2:9][C:29]([CH2:28][CH2:27][N:24]1[CH2:23][CH2:22][CH:21]([O:20][C:18]([NH:17][c:12]2[c:11](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:16][cH:15][cH:14][cH:13]2)=[O:19])[CH2:26][CH2:25]1)=[O:30])=[O:10]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 14769104Methyl 4-(methylamino)butanoateHCID 218806073-[4-(Biphenyl-2-ylcarbamoyloxy)piperidin-1-yl]propionic Acid

Product 1

HCID 667817944-({3-[4-(Biphenyl-2-ylcarbamoyloxy)piperidin-1-yl]-propionyl}methylamino)butyric acid methyl ester

Sources & evidence

ORD record
ord-8eea3909f99e47a0bf898300f80601eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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