1,1-Dichloroethane → 2,2,2-Trifluoro-1-(8'-azaspiro[benzo[b]pyrrolo[1,2-d][1,4]oxazine-4,3'-bicyclo[3.2.1]octane]-8'-yl)ethanone

HRID 2327375Notes

Reaction equation

HRID 2327375 reaction equation
[Cl:35][CH:36]([Cl:37])[CH3:38].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:20][C:21]([C:22](=[O:23])[N:24]1[CH:25]2[CH2:26][C:27](=[O:32])[CH2:28][CH:29]1[CH2:30][CH2:31]2)([F:33])[F:34].[n:8]1(-[c:13]2[c:14]([OH:19])[cH:15][cH:16][cH:17][cH:18]2)[cH:9][cH:10][cH:11][cH:12]1>>[n:8]12[cH:9][cH:10][cH:11][c:12]1[C:27]1([O:19][c:14]3[c:13]-2[cH:18][cH:17][cH:16][cH:15]3)[CH2:26][CH:25]2[N:24]([C:22]([C:21]([F:20])([F:33])[F:34])=[O:23])[CH:29]([CH2:28]1)[CH2:30][CH2:31]2

Participants

5

Reactant 4

HCID 63651,1-DichloroethaneHCID 6422Trifluoroacetic acidHCID 7123342-(1H-Pyrrol-1-Yl)PhenolHCID 152523068-(2,2,2-Trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-one

Product 1

HCID 585507652,2,2-Trifluoro-1-(8'-azaspiro[benzo[b]pyrrolo[1,2-d][1,4]oxazine-4,3'-bicyclo[3.2.1]octane]-8'-yl)ethanone

Sources & evidence

ORD record
ord-c035cd0d42b84d8f8b0fa59eb97e0524
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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