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

HRID 2327318Notes

Reaction equation

HRID 2327318 reaction equation
[CH2:29]([CH3:30])[O:31][C:32]([c:33]1[c:34]([C:40]([F:41])([F:42])[F:43])[n:35][c:36]([Cl:39])[cH:37][cH:38]1)=[O:44].[CH2:45]1[N:46]2[CH2:47][CH2:48][N:49]([CH2:50][CH2:51]2)[CH2:52]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:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[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:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][cH:5][c:6]([O:8][c:36]2[n:35][c:34]([C:40]([F:41])([F:42])[F:43])[c:33]([C:32]([O:31][CH2:29][CH3:30])=[O:44])[cH:38][cH:37]2)[cH:7]1

Participants

4

Reactant 3

HCID 9237DabcoHCID 18374277Ethyl 6-chloro-2-(trifluoromethyl)nicotinateHCID 666972396-[(2-chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

Product 1

HCID 723101246-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-2-trifluoromethyl-nicotinic acid ethyl ester

Sources & evidence

ORD record
ord-80da343ced584542a390f60a1faa5bc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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