Hydrochloric Acid → 9-(3,3-Difluoropyrrolidin-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

HRID 88234Notes

Reaction equation

HRID 88234 reaction equation
[C:26]([O:27][CH2:28][CH3:29])(=[O:30])[CH3:31].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[ClH:32].[F:1][C:2]1([F:25])[CH2:3][N:4]([c:7]2[cH:8][cH:9][cH:10][c:11]3[c:17]2[O:16][CH2:15][CH2:14][N:13]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:12]3)[CH2:5][CH2:6]1>>[F:1][C:2]1([F:25])[CH2:3][N:4]([c:7]2[cH:8][cH:9][cH:10][c:11]3[c:17]2[O:16][CH2:15][CH2:14][NH:13][CH2:12]3)[CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl Acetate2×HCID 68578493HCID 68578493, compound

Product 1

HCID 685785589-(3,3-Difluoropyrrolidin-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

Sources & evidence

ORD record
ord-3584889f3bff4300a732c69b8d96a21b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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