Dichloromethane → 3-Cyclopentylidene-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 574776193-Cyclopentylidene-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

생성물 1

HCID 177548533-Cyclopentylidene-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

출처 및 근거

ORD 기록: ord-f51e4970bd2c429a890f0dac554aacf1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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