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Bicarbonate Ion → 7-{2-[4-(4-Fluoro-phenyl)-3-hydroxy-butyl]-5-oxo-pyrrolidin-1-yl}heptanenitrile

HRID 1241039
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HRID 1241039 반응식
[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][CH:7]([CH2:8][CH2:9][CH:10]1[N:11]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22]#[N:23])[C:12](=[O:15])[CH2:13][CH2:14]1)[CH2:24][c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)([CH3:5])([CH3:32])[CH3:33].[CH2:35]([N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[F-:34].[Na+:56].[O-:52][C:53]([OH:54])=[O:55]>>[OH:6][CH:7]([CH2:8][CH2:9][CH:10]1[N:11]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22]#[N:23])[C:12](=[O:15])[CH2:13][CH2:14]1)[CH2:24][c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 227187687-{2-[3-(Tert-butyl-dimethyl-silanyloxy)-4-(4-fluoro-phenyl)-butyl]-5-oxo-pyrrolidin-1-yl}-heptanenitrile

생성물 1

HCID 22718763
7-{2-[4-(4-Fluoro-phenyl)-3-hydroxy-butyl]-5-oxo-pyrrolidin-1-yl}heptanenitrile

출처 및 근거

ORD 기록
ord-9d2047b7d9ae49f4be868f3e35d3c4f7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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