1,1,1,3,3,3-Hexafluoro-2-propanol → 2,2-Dimethyl-3-oxo-3-[2-(3-piperazin-1-yl-phenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-propionitrile

반응식

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16](-[c:20]3[n:21][c:22]4[c:23]([n:24][cH:25]3)[nH:26][cH:27][c:28]4[C:29]([C:30]([CH3:31])([CH3:32])[C:33]#[N:34])=[O:35])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[F:36][C:37]([F:38])([F:39])[CH:40]([OH:41])[C:42]([F:43])([F:44])[F:45]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16](-[c:20]3[n:21][c:22]4[c:23]([n:24][cH:25]3)[nH:26][cH:27][c:28]4[C:29]([C:30]([CH3:31])([CH3:32])[C:33]#[N:34])=[O:35])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1

참가 물질

반응물 2

HCID 135291,1,1,3,3,3-Hexafluoro-2-propanol

HCID 595410684-{3-[7-(2-Cyano-2,2-dimethyl-acetyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 595409962,2-Dimethyl-3-oxo-3-[2-(3-piperazin-1-yl-phenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-propionitrile

출처 및 근거

ORD 기록: ord-54528a908d0a4a658bb95ac6017da086
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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