Acetic Acid → 2-[5-Methyl-2-(2,2,2-trifluoro-ethyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1,3a,9-triaza-benzo[e]azulen-8-ol
반응식
[CH3:27][C:28]([OH:29])=[O:30].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:25][n:26]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH2:20][C:21]([F:22])([F:23])[F:24])[n:16][c:17]([CH3:19])[n:18]3)[cH:9][n:10]1[CH2:11][CH2:12][O:13]2>>[c:2]1([OH:29])[cH:3][c:4]2[c:5]([cH:25][n:26]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH2:20][C:21]([F:22])([F:23])[F:24])[n:16][c:17]([CH3:19])[n:18]3)[cH:9][n:10]1[CH2:11][CH2:12][O:13]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-cb79feb89efd400ea11ae2fff0b2e88e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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