2-Phenylbutyric Acid → N-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,3-diphenylpropanamide

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH:13]([NH2:16])[CH2:14][CH2:15]2.[c:17]1([CH:23]([C:24](=[O:25])[OH:26])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1.[c:34]1([CH:35]([CH2:36][CH3:37])[C:38]([OH:39])=[O:40])[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH:13]([NH:16][C:24]([CH:23]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[O:25])[CH2:14][CH2:15]2

참가 물질

반응물 3

HCID 70122-Phenylbutyric Acid

HCID 187442,3-Diphenylpropionic acid

HCID 426145342-Benzyl-octahydrocyclopenta[c]pyrrol-4-amine

생성물 1

HCID 75150463N-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2,3-diphenylpropanamide

출처 및 근거

ORD 기록: ord-1d22676d50774086aa0cb525553173bc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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