Hydrochloric Acid → Hydrochloric Acid

HRID 1240850Notes

Reaction equation

HRID 1240850 reaction equation
[C:23]([O:24][CH2:25][CH3:26])(=[O:27])[CH3:28].[CH3:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[c:14]1[O:13][CH2:12][CH2:11][N:10]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH2:9]2)[CH3:22].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[ClH:29]>>[CH3:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[c:14]1[O:13][CH2:12][CH2:11][NH:10][CH2:9]2)[CH3:22].[ClH:29]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl Acetate2×HCID 68579404tert-butyl 9-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 685781839-(2-Methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

Sources & evidence

ORD record
ord-feb495b8a60c43a2978987d727498821
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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