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

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.[CH3:17][CH:18]([C:19](=[O:20])[OH:21])[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[c:29]1([CH:30]([CH2:31][CH3:32])[C:33]([OH:34])=[O:35])[cH:36][cH:37][cH:38][cH:39][cH:40]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:19]([CH:18]([CH3:17])[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:20])[CH2:14][CH2:15]2

참가 물질

반응물 3

HCID 70122-Phenylbutyric Acid

HCID 99862alpha-Methylhydrocinnamic acid

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

생성물 1

HCID 75150464N-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2-methyl-3-phenylpropanamide

출처 및 근거

ORD 기록: ord-c43a9bf97a964b39a1b8b260c05c9aad
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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