Water → 4-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethylpentyl]-3,4-dihydro-1H-quinoxalin-2-one

HRID 134638

반응식

HRID 134638 반응식
[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]2([C:13]([F:14])([F:15])[F:16])[O:11][CH2:12]2)([CH3:17])[CH3:18])[cH:7]1.[NH:21]1[C:22](=[O:31])[CH2:23][NH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]21.[OH2:32]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]([OH:11])([CH2:12][N:24]2[CH2:23][C:22](=[O:31])[NH:21][c:30]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[C:13]([F:14])([F:15])[F:16])([CH3:17])[CH3:18])[cH:7]1

참가 물질

5

출처 및 근거

ORD 기록
ord-357deacc621c46e79b1d0c6a45d45c8a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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