Water → Tert-butyl 3-carbamoyl-5-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]piperidine-1-carboxylate

HRID 1123172Notes

Reaction equation

HRID 1123172 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:36](=[O:37])[OH:38])[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[n:22][c:23]3[c:24]([n:25]2[CH2:26][CH2:27][CH2:28][CH2:29][O:30][CH3:31])[cH:32][cH:33][cH:34][cH:35]3)[CH2:13]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:36](=[O:37])[NH2:42])[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[n:22][c:23]3[c:24]([n:25]2[CH2:26][CH2:27][CH2:28][CH2:29][O:30][CH3:31])[cH:32][cH:33][cH:34][cH:35]3)[CH2:13]1

Participants

4

Reactant 3

HCID 962WaterHCID 6228DimethylformamideHCID 583556255-[[1-(4-Methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Product 1

HCID 76731642Tert-butyl 3-carbamoyl-5-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-b73cb92dd02944cfa85f4cf9dd80b54c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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