Trifluoroacetic acid → 2-[(4-Ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl-4-fluoropyrrolidine-2-carbonitrile

HRID 211433

반응식

HRID 211433 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]12[CH2:7][CH2:8][C:9]([NH:14][CH2:15][C:16](=[O:17])[N:18]3[CH:19]([C:24](=[O:25])[NH2:26])[CH2:20][CH:21]([F:23])[CH2:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2.[F:27][C:28]([S:29]([O:30][S:31]([C:32]([F:33])([F:34])[F:35])(=[O:36])=[O:37])(=[O:38])=[O:39])([F:40])[F:41].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]12[CH2:7][CH2:8][C:9]([NH:14][CH2:15][C:16](=[O:17])[N:18]3[CH:19]([C:24]#[N:26])[CH2:20][CH:21]([F:23])[CH2:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2

참가 물질

4

반응물 3

HCID 6422Trifluoroacetic acidHCID 67749Trifluoromethanesulfonic anhydrideHCID 178468402HCID 178468402, 화합물

생성물 1

HCID 231496942-[(4-Ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl-4-fluoropyrrolidine-2-carbonitrile

출처 및 근거

ORD 기록
ord-b919104d21944035b4a959de608bf08c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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