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

HRID 1563918Notes

Reaction equation

HRID 1563918 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:9][NH2:10])[cH:5][cH:6][c:7]1[F:8].[CH3:11][C:12]([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][CH:21]([CH2:24][c:25]2[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33]2)[CH2:22][CH2:23]1.[CH3:72][CH2:73][O:74][C:75]([CH3:76])=[O:77].[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[Br:1][c:2]1[cH:3][c:4]([CH2:9][NH:10][C:28]([c:27]2[cH:26][c:25]([CH2:24][CH:21]3[CH2:20][CH2:19][N:18]([C:16]([O:15][C:12]([CH3:11])([CH3:13])[CH3:14])=[O:17])[CH2:23][CH2:22]3)[cH:33][cH:32][cH:31]2)=[O:29])[cH:5][cH:6][c:7]1[F:8]

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2724902(3-Bromo-4-fluorophenyl)methanamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 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-f8d980ae3fdd4969be20579c4588addd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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