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Carbonate Ion → 4-(3-Ethyl-3-hydroxy-2-methylpyrrolidin-1-yl)-2-fluoro-3-methylbenzonitrile

HRID 693754
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반응식

HRID 693754 반응식
[CH2:1]([CH3:2])[C:3]1([OH:9])[CH:4]([CH3:8])[NH:5][CH2:6][CH2:7]1.[F:10][c:11]1[c:12]([C:13]#[N:14])[cH:15][cH:16][c:17]([F:20])[c:18]1[CH3:19].[Li+:21].[Li+:22].[O-:23][C:24](=[O:25])[O-:26]>>[CH2:1]([CH3:2])[C:3]1([OH:9])[CH:4]([CH3:8])[N:5]([c:17]2[cH:16][cH:15][c:12]([C:13]#[N:14])[c:11]([F:10])[c:18]2[CH3:19])[CH2:6][CH2:7]1
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참가 물질

5

반응물 4

HCID 19660Carbonate IonHCID 28486Lithium ion2회HCID 113441192,4-Difluoro-3-methylbenzonitrileHCID 722672133-Ethyl-2-methylpyrrolidin-3-ol

생성물 1

HCID 722672544-(3-Ethyl-3-hydroxy-2-methylpyrrolidin-1-yl)-2-fluoro-3-methylbenzonitrile

출처 및 근거

ORD 기록
ord-6bec6b39700e4b7e8e499d12ce35a3c3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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