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Acetaldehyde → 4-amino-5-chloro-N-((1-(5-(N-ethyl-N-benzylamino)pentyl)piperidin-4-yl)methyl)-2-methoxybenzamide

HRID 1238862
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HRID 1238862 반응식
[C:37]([BH3-:38])#[N:39].[CH:34]([CH3:35])=[O:36].[NH2:1][c:2]1[cH:3][c:4]([O:32][CH3:33])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][NH:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:14][CH2:15]2)[cH:29][c:30]1[Cl:31].[Na+:40]>>[NH2:1][c:2]1[cH:3][c:4]([O:32][CH3:33])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]([CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:34][CH3:35])[CH2:14][CH2:15]2)[cH:29][c:30]1[Cl:31]
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참가 물질

5

반응물 4

HCID 177AcetaldehydeHCID 923Sodium IonHCID 498716Cyano-borohydrideHCID 540154964-amino-N-((1-(5-benzylaminopentyl)piperidin-4-yl)methyl)-5-chloro-2-methoxybenzamide

생성물 1

HCID 540569734-amino-5-chloro-N-((1-(5-(N-ethyl-N-benzylamino)pentyl)piperidin-4-yl)methyl)-2-methoxybenzamide

출처 및 근거

ORD 기록
ord-9636a507dfe54d6ab53c1a4b7fffe133
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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