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Hydrochloric Acid → 1-[2-[3-(3,4-Dichloro-phenyl)-1-(benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenylpiperidine-4-carboxylic acid amide

HRID 1241012
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HRID 1241012 반응식
[CH3:1][S:2]([O:3][CH2:6][CH2:7][C:8]1([c:21]2[cH:22][c:23]([Cl:28])[c:24]([Cl:27])[cH:25][cH:26]2)[CH2:9][N:10]([C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[CH2:11][CH2:12]1)(=[O:4])=[O:5].[ClH:29].[Na+:49].[O-:45][C:46]([OH:47])=[O:48].[c:30]1([C:36]2([C:42](=[O:43])[NH2:44])[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH2:6]([CH2:7][C:8]1([c:21]2[cH:22][c:23]([Cl:28])[c:24]([Cl:27])[cH:25][cH:26]2)[CH2:9][N:10]([C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[CH2:11][CH2:12]1)[N:39]1[CH2:38][CH2:37][C:36]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)([C:42](=[O:43])[NH2:44])[CH2:41][CH2:40]1
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참가 물질

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반응물 5

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 30171304-Phenylpiperidine-4-carboxamideHCID 158408952-[1-Benzoyl-3-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]ethyl methanesulfonate

생성물 1

HCID 44212285
1-[2-[3-(3,4-Dichloro-phenyl)-1-(benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenylpiperidine-4-carboxylic acid amide

출처 및 근거

ORD 기록
ord-9fb563b245534f8e8abcb3431d6c1bf3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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