Hydrochloric Acid → Hydrochloric Acid

HRID 2129239Notes

Reaction equation

HRID 2129239 reaction equation
[C:30]([O:31][CH2:32][CH3:33])(=[O:34])[CH3:35].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[ClH:36].[F:1][C: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)([F:28])[F:29]>>[ClH:36].[F:1][C: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)([F:28])[F:29]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl Acetate2×HCID 68580642tert-butyl 9-[2-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 685795219-[2-(Trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

Sources & evidence

ORD record
ord-380adec5dc8a4b2dbe6acb92c39d5bf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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