Potassium Cation → 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 178543

反応式

HRID 178543 の反応式
[C:40](=[O:41])([O-:42])[O-:43].[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[cH:31][cH:32][c:33]([C:36](=[O:37])[O:38][CH3:39])[cH:34][n:35]1.[K+:44].[K+:45].[OH2:46]>>[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[cH:31][cH:32][c:33]([C:36](=[O:37])[O:38][CH3:39])[cH:34][n:35]2)[cH:7]1

参加物

6

反応物 5

HCID 813Potassium Cation2 回HCID 962WaterHCID 19660Carbonate IonHCID 254249Methyl 6-chloropyridine-3-carboxylateHCID 666972396-[(2-chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

生成物 1

HCID 666972096-{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

出典と根拠

ORDレコード
ord-4f0e0a325de04794b2a77a635fee2a82
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

関連ノート

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