Hydrochloric Acid → tert-Butyl 3-methyl 4-[3-(6-cyano-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propyl]piperidine-1,3-dicarboxylate

HRID 1151354Notes

Reaction equation

HRID 1151354 reaction equation
[CH3:16][S:17]([O:18][CH2:21][CH2:22][CH2:23][CH:24]1[CH:25]([C:37](=[O:38])[O:39][CH3:40])[CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]1)(=[O:19])=[O:20].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[ClH:41].[H-:14].[Na+:15].[O:1]=[C:2]1[CH2:3][O:4][c:5]2[c:6]([cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]2)[NH:7]1.[OH2:53]>>[O:1]=[C:2]1[CH2:3][O:4][c:5]2[c:6]([cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]2)[N:7]1[CH2:21][CH2:22][CH2:23][CH:24]1[CH:25]([C:37](=[O:38])[O:39][CH3:40])[CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 106548133-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrileHCID 866525391-Tert-butyl 3-methyl 4-{3-[(methylsulfonyl)oxy]propyl}piperidine-1,3-dicarboxylate

Product 1

HCID 66773991tert-Butyl 3-methyl 4-[3-(6-cyano-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propyl]piperidine-1,3-dicarboxylate

Sources & evidence

ORD record
ord-d9adf6bfb8954a1ca602237af0b030f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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