Dabco → 6-{3-Chloro-4-[2-(4-ethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenoxy}-4-trifluoromethyl-nicotinic acid methyl ester

HRID 296832Notes

Reaction equation

HRID 296832 reaction equation
[CH2:45]1[N:46]2[CH2:47][CH2:48][N:49]([CH2:50][CH2:51]2)[CH2:52]1.[CH3:30][O:31][C:32]([c:33]1[cH:34][n:35][c:36]([Cl:43])[cH:37][c:38]1[C:39]([F:40])([F:41])[F:42])=[O:44].[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:28]2)[N:21]([CH2:26][CH3:27])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:29])[cH:4][cH:5][c:6]([OH:8])[cH:7]1>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:28]2)[N:21]([CH2:26][CH3:27])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:29])[cH:4][cH:5][c:6]([O:8][c:36]2[n:35][cH:34][c:33]([C:32]([O:31][CH3:30])=[O:44])[c:38]([C:39]([F:40])([F:41])[F:42])[cH:37]2)[cH:7]1

Participants

4

Reactant 3

HCID 9237DabcoHCID 2775340Methyl 6-chloro-4-(trifluoromethyl)nicotinateHCID 666973516-[2-(2-Chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-ethyl-4H-benzo[1,4]oxazin-3-one

Product 1

HCID 866458746-{3-Chloro-4-[2-(4-ethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenoxy}-4-trifluoromethyl-nicotinic acid methyl ester

Sources & evidence

ORD record
ord-35d94fcdea094bcf803084a8f765ef0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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