Potassium Cation → 6-Fluoro-4-[3-(1,1,2,2-tetrafluoro-ethoxy)-benzyl]-2-trifluoromethyl-3,4-dihydro-2H-benzo[1,4]oxazine

HRID 1546095Notes

Reaction equation

HRID 1546095 reaction equation
[F:1][c:2]1[c:3]([N:9]([CH2:10][CH:11]([C:12]([F:13])([F:14])[F:15])[OH:16])[CH2:17][c:18]2[cH:19][c:20]([O:24][C:25]([CH:26]([F:27])[F:28])([F:29])[F:30])[cH:21][cH:22][cH:23]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[K+:31].[K+:32].[O-:33][C:34]([O-:35])=[O:36].[OH2:37]>>[c:2]12[c:3]([cH:4][c:5]([F:8])[cH:6][cH:7]1)[N:9]([CH2:17][c:18]1[cH:19][c:20]([O:24][C:25]([CH:26]([F:27])[F:28])([F:29])[F:30])[cH:21][cH:22][cH:23]1)[CH2:10][CH:11]([C:12]([F:13])([F:14])[F:15])[O:16]2

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 235060713-[(2,5-Difluorophenyl)[[3-(1,1,2,2-tetrafluoro-ethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol

Product 1

HCID 108952136-Fluoro-4-[3-(1,1,2,2-tetrafluoro-ethoxy)-benzyl]-2-trifluoromethyl-3,4-dihydro-2H-benzo[1,4]oxazine

Sources & evidence

ORD record
ord-1a57db9f762a4c248017f13b509d017e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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