Hydrochloric Acid → Hydrochloric Acid

HRID 698127Notes

Reaction equation

HRID 698127 reaction equation
[C:22]([O:23][CH2:24][CH3:25])(=[O:26])[CH3:27].[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH:1]1([c:4]2[cH:5][cH:6][cH:7][c:8]3[c:14]2[O:13][CH2:12][CH2:11][N:10]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH2:9]3)[CH2:2][CH2:3]1.[ClH:28]>>[CH:1]1([c:4]2[cH:5][cH:6][cH:7][c:8]3[c:14]2[O:13][CH2:12][CH2:11][NH:10][CH2:9]3)[CH2:2][CH2:3]1.[ClH:28]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl Acetate2×HCID 68579262tert-butyl 9-cyclopropyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 250123759-Cyclopropyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

Sources & evidence

ORD record
ord-8f931509204a4ff593944666563c8219
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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