Hydrochloric Acid → Hydrochloric Acid

HRID 1113239Notes

Reaction equation

HRID 1113239 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[C:15](=[O:25])[NH:16][c:17]3[c:18]([cH:21][cH:22][cH:23][cH:24]3)[CH2:19][CH2:20]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[ClH:26]>>[ClH:26].[NH:8]1[CH2:9][CH2:10][CH:11]([N:14]2[C:15](=[O:25])[NH:16][c:17]3[c:18]([cH:21][cH:22][cH:23][cH:24]3)[CH2:19][CH2:20]2)[CH2:12][CH2:13]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 58823744Tert-butyl 4-(2-oxo-1,2,4,5-tetrahydrobenzo[d][1,3]diazepin-3-yl)piperidine-1-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 113795873-(Piperidin-4-yl)-4,5-dihydro-1H-benzo[d][1,3]diazepin-2(3H)-one

Sources & evidence

ORD record
ord-ebe8d8ef88674de58d1d1a959fa44d89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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