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Sodium Ion → 2-[4-[2-Benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]piperazin-1-yl]acetonitrile

HRID 163005
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HRID 163005 반응식
[Cl:36][CH2:37][C:38]#[N:39].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:10][CH:11]([N:14]3[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:46]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:10][CH:11]([N:14]3[CH2:15][CH2:16][N:17]([CH2:37][C:38]#[N:39])[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 923Sodium Ion2회HCID 962WaterHCID 7856ChloroacetonitrileHCID 19660Carbonate IonHCID 18630855(+/-)-1-[3,5-Bis(trifluoromethyl)benzoyl]-2-(phenylmethyl)-4-(1-piperazinyl)piperidine

생성물 1

HCID 186308142-[4-[2-Benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]piperazin-1-yl]acetonitrile

출처 및 근거

ORD 기록
ord-a341f138e9964dd78aef75e3c1d3a370
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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