Dabco → 4-Chloro-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}-nicotinic acid methyl ester

HRID 1114678

Reaction equation

HRID 1114678 reaction equation
[CH2:41]1[N:42]2[CH2:43][CH2:44][N:45]([CH2:46][CH2:47]2)[CH2:48]1.[CH3:29][O:30][C:31]([c:32]1[cH:33][n:34][c:35]([Cl:39])[cH:36][c:37]1[Cl:38])=[O:40].[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:35]2[n:34][cH:33][c:32]([C:31]([O:30][CH3:29])=[O:40])[c:37]([Cl:38])[cH:36]2)[cH:7]1

Participants

4

Reactant 3

HCID 9237DabcoHCID 2764083Methyl4,6-dichloronicotinateHCID 666972396-[(2-chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

Product 1

HCID 666973294-Chloro-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}-nicotinic acid methyl ester

Sources & evidence

ORD record
ord-68e826895ba14381a103409af4a03473
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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