Dichloromethane → Trifluoroacetic acid

반응식

[CH:1]1([CH:6]([CH2:7][C:8]#[CH: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:39][CH2:40][Cl:41].[F:32][C:33]([C:34](=[O:35])[OH:36])([F:37])[F:38]>>[CH:1]1([CH:6]([CH2:7][C:8]#[CH: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.[F:32][C:33]([C:34](=[O:35])[OH:36])([F:37])[F:38]

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 574781104-[1-(1-Cyclopentylbut-3-yn-1-yl)-1H-pyrazol-4-yl]-7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidine

생성물 2

HCID 6422Trifluoroacetic acid

HCID 574780084-(1-(1-Cyclopentylbut-3-yn-1-yl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

출처 및 근거

ORD 기록: ord-86fa7c5b3f06483fb0c1fd831e2c957c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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