Water → 1-[4-Phenyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-1-yl]ethan-1-one

반응식

[CH3:18][C:19](=[O:20])[O:21][C:22](=[O:23])[CH3:24].[OH2:17].[c:1]1(-[c:7]2[cH:8][n:9][nH:10][c:11]2-[n:12]2[cH:13][n:14][n:15][cH:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][n:9]([C:19]([CH3:18])=[O:20])[n:10][c:11]2-[n:12]2[cH:13][n:14][n:15][cH:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 962Water

HCID 7918Acetic Anhydride

HCID 123305444-(4-Phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole

생성물 1

HCID 123305531-[4-Phenyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-1-yl]ethan-1-one

출처 및 근거

ORD 기록: ord-0c08ed8138c949f99aa6d2b1c9709985
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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