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Bicarbonate Ion → 1-{4-[3-(2-Methylpiperidin-1-yl)propoxy]phenyl}piperazine

HRID 1571735
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HRID 1571735 반응식
[C:38](=[O:39])([OH:40])[O-:41].[CH3:1][CH:2]1[N:3]([CH2:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][N:21]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:22][CH2:23]3)[cH:16][cH:17]2)[CH2:4][CH2:5][CH2:6][CH2:7]1.[Cl:43][CH2:44][Cl:45].[Na+:42].[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[CH3:1][CH:2]1[N:3]([CH2:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[cH:16][cH:17]2)[CH2:4][CH2:5][CH2:6][CH2:7]1
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6

반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 579358121,1-Dimethylethyl 4-(4-{[3-(2-methyl-1-piperidinyl)propyl]oxy}phenyl)-1-piperazinecarboxylate

생성물 1

HCID 579358411-{4-[3-(2-Methylpiperidin-1-yl)propoxy]phenyl}piperazine

출처 및 근거

ORD 기록
ord-3a9c0167b78249f2881f5324d5a36ff6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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