Sodium ion → 4-[(3-benzoyloxy-4-fluorobenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

HRID 684650

反応式

HRID 684650 の反応式
[Br:17][CH2:18][c:19]1[cH:20][cH:21][c:22]([F:34])[c:23]([O:25][C:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[cH:24]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[H-:1].[Na+:2].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46].[n:3]1[n:4][cH:5][n:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]2)[cH:7]1>>[n:3]1[n:4][cH:5][n:6]([N:8]([c:9]2[cH:10][cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]2)[CH2:18][c:19]2[cH:20][cH:21][c:22]([F:34])[c:23]([O:25][C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:33])[cH:24]2)[cH:7]1

参加物

8

反応物 7

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 10307909Benzonitrile, 4-(4H-1,2,4-triazol-4-ylamino)-HCID 167478383-Benzoyloxy-4-fluorobenzyl bromide

生成物 1

HCID 167492214-[(3-benzoyloxy-4-fluorobenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

出典と根拠

ORDレコード
ord-78e4b51b1e1d4041a351f0efae5459d7
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

関連ノート

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