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Sodium Ion → 6-{(SR)-1-[(3RS,4SR)-1-(1-Cyanomethyl-piperidine-4-carbonyl)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-ethoxy}-nicotinonitrile

HRID 1120001
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HRID 1120001 반응식
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[Cl:1][c:2]1[cH:3][c:4]([CH:9]2[CH:10]([CH:22]([CH3:23])[O:24][c:25]3[n:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]3)[CH2:11][N:12]([C:14](=[O:15])[CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[CH2:13]2)[cH:5][cH:6][c:7]1[Cl:8].[H-:34].[I:35][CH2:36][C:37]#[N:38].[Na+:33]>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]2[CH:10]([CH:22]([CH3:23])[O:24][c:25]3[n:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]3)[CH2:11][N:12]([C:14](=[O:15])[CH:16]3[CH2:17][CH2:18][N:19]([CH2:36][C:37]#[N:38])[CH2:20][CH2:21]3)[CH2:13]2)[cH:5][cH:6][c:7]1[Cl:8]
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참가 물질

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반응물 5

HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 69356IodoacetonitrileHCID 166653HydrideHCID 669991306-{(SR)-1-[(3RS,4SR)-4-(3,4-Dichloro-phenyl)-1-(piperidine-4-carbonyl)-pyrrolidin-3-yl]-ethoxy}-nicotinonitrile

생성물 1

HCID 76700735
6-{(SR)-1-[(3RS,4SR)-1-(1-Cyanomethyl-piperidine-4-carbonyl)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-ethoxy}-nicotinonitrile

출처 및 근거

ORD 기록
ord-db43db2e992b4cacae473faae22d5a85
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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