Hexafluorophosphate → 2-(4-Chloro-3-trifluoromethyl-5-methyl-pyrazol-1-yl)-1-[4-(2-chloro-5-methoxy-phenyl)-piperazin-1-yl]-ethanone

HRID 110747

反応式

HRID 110747 の反応式
[Cl:25][c:26]1[c:27]([N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]1.[Cl:40][c:41]1[c:42]([C:51]([F:52])([F:53])[F:54])[n:43][n:44]([CH2:47][C:48](=[O:49])[OH:50])[c:45]1[CH3:46].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[Cl:25][c:26]1[c:27]([N:34]2[CH2:35][CH2:36][N:37]([C:48]([CH2:47][n:44]3[n:43][c:42]([C:51]([F:52])([F:53])[F:54])[c:41]([Cl:40])[c:45]3[CH3:46])=[O:49])[CH2:38][CH2:39]2)[cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]1

参加物

5

反応物 4

HCID 9886HexafluorophosphateHCID 1876853(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 186630281-(2-Chloro-5-methoxyphenyl)piperazine

生成物 1

HCID 210710632-(4-Chloro-3-trifluoromethyl-5-methyl-pyrazol-1-yl)-1-[4-(2-chloro-5-methoxy-phenyl)-piperazin-1-yl]-ethanone

出典と根拠

ORDレコード
ord-b008fa2a057240fa8d4ccb02837db531
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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