Dabco → 2-{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}-pyrimidine-5-carboxylic acid methyl ester

HRID 107826Notes

Reaction equation

HRID 107826 reaction equation
[CH2:40]1[N:41]2[CH2:42][CH2:43][N:44]([CH2:45][CH2:46]2)[CH2:47]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:29][c:30]1[n:31][cH:32][c:33]([C:36](=[O:37])[O:38][CH3:39])[cH:34][n:35]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:30]2[n:31][cH:32][c:33]([C:36](=[O:37])[O:38][CH3:39])[cH:34][n:35]2)[cH:7]1

Participants

4

Reactant 3

HCID 9237DabcoHCID 12627752Methyl 2-chloropyrimidine-5-carboxylateHCID 666972396-[(2-chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

Product 1

HCID 666972562-{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}-pyrimidine-5-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-f43b1bfd6a7b4c7fb38c453b5507cfb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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