Hexafluorophosphate → Tert-butyl 4-(tert-butoxycarbonylamino)-4-(1-(4-chlorophenyl)-4-hydroxybutylcarbamoyl)piperidine-1-carboxylate

HRID 307707Notes

Reaction equation

HRID 307707 reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][C:35]([C:38](=[O:39])[OH:40])([NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:36][CH2:37]1.[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[NH2:49][CH:50]([CH2:51][CH2:52][CH2:53][OH:54])[c:55]1[cH:56][cH:57][c:58]([Cl:61])[cH:59][cH:60]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][C:35]([C:38](=[O:39])[NH:49][CH:50]([CH2:51][CH2:52][CH2:53][OH:54])[c:55]2[cH:56][cH:57][c:58]([Cl:61])[cH:59][cH:60]2)([NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:36][CH2:37]1

Participants

6

Reactant 5

HCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 12682251-(tert-Butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 577503714-Amino-4-(4-chlorophenyl)butan-1-ol

Product 1

HCID 57750344Tert-butyl 4-(tert-butoxycarbonylamino)-4-(1-(4-chlorophenyl)-4-hydroxybutylcarbamoyl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-eb37c0ed8d5c4fd083426ba18328dac2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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