Chloride → 4-Fluoro-N-{[2-oxo-6-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamide

HRID 1204646Notes

Reaction equation

HRID 1204646 reaction equation
[Al+3:45].[CH3:47][O:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl-:42].[Cl-:43].[Cl-:44].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10]2([C:36]([F:37])([F:38])[F:39])[O:11][C:12](=[O:35])[N:13]([CH2:26][c:27]3[cH:28][cH:29][c:30]([O:31][CH3:32])[cH:33][cH:34]3)[c:14]3[c:15]2[cH:16][c:17]([N:20]2[C:21](=[O:25])[CH2:22][CH2:23][CH2:24]2)[cH:18][cH:19]3)[cH:40][cH:41]1.[OH2:46]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10]2([C:36]([F:37])([F:38])[F:39])[O:11][C:12](=[O:35])[NH:13][c:14]3[c:15]2[cH:16][c:17]([N:20]2[C:21](=[O:25])[CH2:22][CH2:23][CH2:24]2)[cH:18][cH:19]3)[cH:40][cH:41]1

Participants

7

Reactant 6

HCID 312Chloride3×HCID 962WaterHCID 7519AnisoleHCID 8857Ethyl AcetateHCID 104727Aluminum CationHCID 684849574-fluoro-N-{[1-(4-methoxybenzyl)-2-oxo-6-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamide

Product 1

HCID 252547244-Fluoro-N-{[2-oxo-6-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamide

Sources & evidence

ORD record
ord-84864a36e3484d47a51223cb587086e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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