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Hydrochloric Acid → 1-{N-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-propyl}-N-methylaminoacetyl}-4-phenoxypiperidine

HRID 2149256
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HRID 2149256 반응식
[C:4]([OH:5])(=[O:6])[C:7]([OH:8])=[O:9].[CH3:2][OH:3].[CH3:52][OH:53].[ClH:1].[F:10][c:11]1[cH:12][cH:13][c:14]([C:17]2([CH2:22][CH2:23][CH2:24][N:25]([CH3:26])[CH2:27][C:28](=[O:29])[N:30]3[CH2:31][CH2:32][CH:33]([O:36][c:37]4[cH:38][c:39]([Cl:43])[cH:40][cH:41][cH:42]4)[CH2:34][CH2:35]3)[O:18][CH2:19][CH2:20][O:21]2)[cH:15][cH:16]1.[H:44][H:45].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51]>>[F:10][c:11]1[cH:12][cH:13][c:14]([C:17]2([CH2:22][CH2:23][CH2:24][N:25]([CH3:26])[CH2:27][C:28](=[O:29])[N:30]3[CH2:31][CH2:32][CH:33]([O:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[CH2:34][CH2:35]3)[O:18][CH2:19][CH2:20][O:21]2)[cH:15][cH:16]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 887Methanol2회HCID 923Sodium Ion2회HCID 971Oxalic AcidHCID 19660Carbonate IonHCID 202831301-[4-(3-Chlorophenoxy)piperidin-1-yl]-2-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl-methylamino]ethanoneHCID 178418361
HCID 178418361, 화합물

생성물 1

HCID 202831171-{N-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-propyl}-N-methylaminoacetyl}-4-phenoxypiperidine

출처 및 근거

ORD 기록
ord-552d7c39195a49ad8aa4ec36db246cd4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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