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Propanal → 1-[3-(4-Propylpiperazin-1-yl)-4-(3,3,5,5-tetramethylcyclohexyl)phenyl]ethanone

HRID 100491
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반응식

HRID 100491 반응식
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:49][CH2:50][O:51][CH2:52][CH3:53].[CH:26]([CH2:27][CH3:28])=[O:29].[N:1]1([c:7]2[cH:8][c:9]([C:23]([CH3:24])=[O:25])[cH:10][cH:11][c:12]2[CH:13]2[CH2:14][C:15]([CH3:21])([CH3:22])[CH2:16][C:17]([CH3:19])([CH3:20])[CH2:18]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Na+:43].[Na+:44].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH:45][C:46](=[O:47])[O-:48]>>[N:1]1([c:7]2[cH:8][c:9]([C:23]([CH3:24])=[O:25])[cH:10][cH:11][c:12]2[CH:13]2[CH2:14][C:15]([CH3:21])([CH3:22])[CH2:16][C:17]([CH3:19])([CH3:20])[CH2:18]2)[CH2:2][CH2:3][N:4]([CH2:26][CH2:27][CH3:28])[CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 527PropanalHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 231416551-[3-Piperazin-1-yl-4-(3,3,5,5-tetramethylcyclohexyl)phenyl]ethanone

생성물

1
HCID 231418081-[3-(4-Propylpiperazin-1-yl)-4-(3,3,5,5-tetramethylcyclohexyl)phenyl]ethanone

출처 및 근거

ORD 기록
ord-9a08bd4ce0dc42e4a2b2835684fae35a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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