Sodium ion → 2-Methyl-5-[6-phenyl-5-(4-trifluoromethyl-phenyl)-pyridazin-3-yloxy]-benzothiazole

HRID 126177

反応式

HRID 126177 の反応式
[CH3:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([OH:11])[cH:9][cH:10]2.[Cl:12][c:13]1[cH:14][c:15](-[c:25]2[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[c:16](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[n:17][n:18]1.[H-:36].[Na+:35].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH3:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([O:11][c:13]1[cH:14][c:15](-[c:25]3[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[c:16](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[n:17][n:18]1)[cH:9][cH:10]2

参加物

6

反応物 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 6997992-Methyl-1,3-benzothiazol-5-olHCID 218651896-Chloro-3-phenyl-4-(4-trifluoromethyl-phenyl)-pyridazine

生成物 1

HCID 104345292-Methyl-5-[6-phenyl-5-(4-trifluoromethyl-phenyl)-pyridazin-3-yloxy]-benzothiazole

出典と根拠

ORDレコード
ord-9dc4dae5ffbe43a0be02308659070636
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

関連ノート

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