Water → Tert-butyl 4-(2-oxo-1,2,4,5-tetrahydrobenzo[d][1,3]diazepin-3-yl)piperidine-1-carboxylate

HRID 103548Notes

Reaction equation

HRID 103548 reaction equation
[C:24](=[O:25])([n:26]1[cH:27][cH:28][n:29][cH:30]1)[n:31]1[cH:32][cH:33][n:34][cH:35]1.[NH2:1][c:2]1[c:3]([CH2:4][CH2:5][NH:6][CH:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]2)[cH:20][cH:21][cH:22][cH:23]1.[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:41]>>[NH:1]1[c:2]2[c:3]([cH:20][cH:21][cH:22][cH:23]2)[CH2:4][CH2:5][N:6]([CH:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]2)[C:24]1=[O:25]

Participants

5

Reactant 4

HCID 962WaterHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 18444264Tert-butyl 4-{[2-(2-aminophenyl)ethyl]amino}piperidine-1-carboxylate

Product 1

HCID 58823744Tert-butyl 4-(2-oxo-1,2,4,5-tetrahydrobenzo[d][1,3]diazepin-3-yl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-414b1596736b43d59120a7bf9fe4178a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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