Nitric Acid → C16H13F2N5O2

반응식

[F:1][c:2]1[c:3]([CH:9]2[N:10]([c:14]3[n:15][c:16]4[n:17]([cH:18][cH:19]3)[n:20][cH:21][cH:22]4)[CH2:11][CH2:12][CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[F:27][C:28]([F:29])([F:30])[C:31]([OH:32])=[O:33].[OH:23][N+:24]([O-:25])=[O:26]>>[F:1][c:2]1[c:3]([CH:9]2[N:10]([c:14]3[n:15][c:16]4[n:17]([cH:18][cH:19]3)[n:20][cH:21][c:22]4[N+:24](=[O:23])[O-:25])[CH2:11][CH2:12][CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1

참가 물질

반응물 3

HCID 944Nitric Acid

HCID 6422Trifluoroacetic acid

HCID 67329911(2R)-2-(2,5-difluorophenyl)-1-{pyrazolo[1,5-a]pyrimidin-5-yl}pyrrolidine

생성물 1

HCID 67329820C16H13F2N5O2

출처 및 근거

ORD 기록: ord-88f012a660ab4ab4adee6c18c715612f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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