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Ethanol → 1-[2-[1-Benzoyl-3-(3,4-dichlorophenyl)-pyrrolidin-3-yl]-ethyl]-4-phenylpiperidine-4-carboxylic acid

HRID 2341063
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HRID 2341063 반응식
[CH3:1][O:2][C:3](=[O:4])[C:5]1([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:6][CH2:7][N:8]([CH2:11][CH2:12][C:13]2([c:26]3[cH:27][c:28]([Cl:33])[c:29]([Cl:32])[cH:30][cH:31]3)[CH2:14][N:15]([C:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)=[O:25])[CH2:16][CH2:17]2)[CH2:9][CH2:10]1.[CH3:42][CH2:43][OH:44].[Na+:41].[OH-:40]>>[O:2]=[C:3]([OH:4])[C:5]1([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:6][CH2:7][N:8]([CH2:11][CH2:12][C:13]2([c:26]3[cH:27][c:28]([Cl:33])[c:29]([Cl:32])[cH:30][cH:31]3)[CH2:14][N:15]([C:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)=[O:25])[CH2:16][CH2:17]2)[CH2:9][CH2:10]1
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반응물 4

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 539315011-[2-[1-Benzoyl-3-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid methyl ester

생성물 1

HCID 540387971-[2-[1-Benzoyl-3-(3,4-dichlorophenyl)-pyrrolidin-3-yl]-ethyl]-4-phenylpiperidine-4-carboxylic acid

출처 및 근거

ORD 기록
ord-f8834509db9e442c9454920ea0712903
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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