Water → Tert-butyl 2-[(2-amino-4,5-dimethylphenyl)carbamoyl]-4-[(4-cyanophenyl)carbamoylamino]piperidine-1-carboxylate

HRID 2346834Notes

Reaction equation

HRID 2346834 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH:19]([C:36](=[O:37])[OH:38])[CH2:20][CH:21]([NH:24][C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31]([C:34]#[N:35])[cH:32][cH:33]2)[CH2:22][CH2:23]1.[CH3:1][c:2]1[cH:3][c:4]([NH2:10])[c:5]([NH2:9])[cH:6][c:7]1[CH3:8].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:48]>>[CH3:1][c:2]1[cH:3][c:4]([NH:10][C:36]([CH:19]2[N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:23][CH2:22][CH:21]([NH:24][C:25](=[O:26])[NH:27][c:28]3[cH:29][cH:30][c:31]([C:34]#[N:35])[cH:32][cH:33]3)[CH2:20]2)=[O:37])[c:5]([NH2:9])[cH:6][c:7]1[CH3:8]

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 766354,5-Dimethyl-1,2-phenylenediamineHCID 81531DiisopropylethylamineHCID 765595184-[(4-Cyanophenyl)carbamoylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

Product 1

HCID 67266292Tert-butyl 2-[(2-amino-4,5-dimethylphenyl)carbamoyl]-4-[(4-cyanophenyl)carbamoylamino]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-e893ecacac6f4b74bb6e8fb84873f563
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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