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

HRID 112570
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HRID 112570 반응식
[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.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[H-:2].[Na:1].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:40].[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
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반응물 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 5360545SodiumHCID 10307909Benzonitrile, 4-(4H-1,2,4-triazol-4-ylamino)-HCID 167478383-Benzoyloxy-4-fluorobenzyl bromide

생성물 1

HCID 16749221
4-[(3-benzoyloxy-4-fluorobenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

출처 및 근거

ORD 기록
ord-a426465e3a9a4e30ab3fd29d264623ae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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