Hydrochloric Acid → 1-[2-[3-(3,4-Dimethoxy-phenyl)-1-(3,4,5-triethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide

HRID 150594

반응식

HRID 150594 반응식
[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2([CH2:33][CH2:34][CH2:35][S:36]([O-:37])(=[O:38])=[O:39])[CH2:12][N:13]([C:16]([c:17]3[cH:18][c:19]([O:29][CH2:30][CH3:31])[c:20]([O:26][CH2:27][CH3:28])[c:21]([O:23][CH2:24][CH3:25])[cH:22]3)=[O:32])[CH2:14][CH2:15]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[ClH:40].[c:41]1([C:47]2([C:53](=[O:54])[NH2:55])[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2([CH2:33][CH2:34][N:50]3[CH2:49][CH2:48][C:47]([c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)([C:53](=[O:54])[NH2:55])[CH2:52][CH2:51]3)[CH2:12][N:13]([C:16]([c:17]3[cH:18][c:19]([O:29][CH2:30][CH3:31])[c:20]([O:26][CH2:27][CH3:28])[c:21]([O:23][CH2:24][CH3:25])[cH:22]3)=[O:32])[CH2:14][CH2:15]2)[cH:6][cH:7][c:8]1[O:9][CH3:10]

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 30171304-Phenylpiperidine-4-carboxamideHCID 867509142-[3-(3,4-Dimethoxy-phenyl)-1-(3,4,5-triethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl-methanesulfonate

생성물 1

HCID 536553231-[2-[3-(3,4-Dimethoxy-phenyl)-1-(3,4,5-triethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide

출처 및 근거

ORD 기록
ord-fde7d21d912b422c856988af3355d8c8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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