Hydrochloric Acid → Hydrochloric Acid

HRID 296818Notes

Reaction equation

HRID 296818 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5](-[c:10]2[cH:11][cH:12][cH:13][c:14]3[c:20]2[O:19][CH2:18][CH2:17][N:16]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:15]3)[cH:6][cH:7][cH:8][cH:9]1.[C:28]([O:29][CH2:30][CH3:31])(=[O:32])[CH3:33].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[ClH:34]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5](-[c:10]2[cH:11][cH:12][cH:13][c:14]3[c:20]2[O:19][CH2:18][CH2:17][NH:16][CH2:15]3)[cH:6][cH:7][cH:8][cH:9]1.[ClH:34]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl Acetate2×HCID 68579850tert-butyl 9-(2-acetylphenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 685779071-[2-(2,3,4,5-Tetrahydro-1,4-benzoxazepin-9-yl)phenyl]ethanone

Sources & evidence

ORD record
ord-7c3c111694ee49158522cfd19a1ee024
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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