Hydrochloric Acid → Hydrochloric Acid

HRID 163645Notes

Reaction equation

HRID 163645 reaction equation
[C:25]([O:26][CH2:27][CH3:28])(=[O:29])[CH3:30].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[ClH:31].[c:1]1(-[c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:24]2)[CH2:12][N:13]([C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[CH2:14][CH2:15][O:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:31].[c:1]1(-[c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:24]2)[CH2:12][NH:13][CH2:14][CH2:15][O:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl Acetate2×HCID 68578602tert-butyl 7-phenyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 658152527-Phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

Sources & evidence

ORD record
ord-0f58c622d3364f33bf166273716b5e28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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