Dabco → 2-Chloro-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}-nicotinic acid methyl ester

HRID 101231Notes

Reaction equation

HRID 101231 reaction equation
[CH2:42]1[N:43]2[CH2:44][CH2:45][N:46]([CH2:47][CH2:48]2)[CH2:49]1.[CH3:30][O:31][C:32](=[O:33])[c:34]1[c:35]([Cl:41])[n:36][c:37]([Cl:40])[cH:38][cH:39]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]([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:37]2[n:36][c:35]([Cl:41])[c:34]([C:32]([O:31][CH3:30])=[O:33])[cH:39][cH:38]2)[cH:7]1

Participants

4

Reactant 3

HCID 9237DabcoHCID 11106516Methyl 2,6-dichloropyridine-3-carboxylateHCID 666973516-[2-(2-Chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-ethyl-4H-benzo[1,4]oxazin-3-one

Product 1

HCID 866458752-Chloro-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}-nicotinic acid methyl ester

Sources & evidence

ORD record
ord-5eead064a8b34b3ea0a8461b0c9c461a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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