Acetone → 4-(4-cyclopropylethynyl-2-oxo-4-trifluoromethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yloxy)-butyric Acid Ethyl Ester

HRID 1144986Notes

Reaction equation

HRID 1144986 reaction equation
[Br:46][CH2:47][CH2:48][CH2:49][C:50](=[O:51])[O:52][CH2:53][CH3:54].[C:22](=[O:23])([O-:24])[O-:25].[CH3:55][C:56](=[O:57])[CH3:58].[CH:1]1([C:4]#[C:5][C:6]2([C:18]([F:19])([F:20])[F:21])[c:7]3[c:8]([cH:13][cH:14][c:15]([OH:17])[cH:16]3)[NH:9][C:10](=[O:12])[O:11]2)[CH2:2][CH2:3]1.[K+:26].[K+:27].[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33][O:34][CH2:35][CH2:36][O:37][CH2:38][CH2:39][O:40][CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[CH:1]1([C:4]#[C:5][C:6]2([C:18]([F:19])([F:20])[F:21])[c:7]3[c:8]([cH:13][cH:14][c:15]([O:17][CH2:47][CH2:48][CH2:49][C:50](=[O:51])[O:52][CH2:53][CH3:54])[cH:16]3)[NH:9][C:10](=[O:12])[O:11]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 2855718-Crown-6HCID 76300Ethyl 4-bromobutyrateHCID 114264734-Cyclopropylethynyl-6-hydroxy-4-trifluoromethyl-1,4-dihydro-benzo [d][1,3]oxazin-2-one

Product 1

HCID 688064764-(4-cyclopropylethynyl-2-oxo-4-trifluoromethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yloxy)-butyric Acid Ethyl Ester

Sources & evidence

ORD record
ord-ba33de2d41634e8081128a93795e2a93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…