Cyclopentane → 3-[4-(3-methoxycarbonylphenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid

HRID 1128212

반응식

HRID 1128212 반응식
[C:1]([O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([F:8])([F:9])[F:10])[cH:11][c:12]1[CH2:13][NH:14][C:15]([C:16]1([CH:17]([CH3:18])[CH3:19])[CH2:20][CH:21]([n:22]2[c:23]([CH3:24])[cH:25][cH:26][c:27]2[CH3:28])[CH:29]=[CH:30]1)=[O:31])([CH3:32])([CH3:33])[CH3:34].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][C:43](=[O:44])[C:45]1([CH:66]([CH3:67])[CH3:68])[CH2:46][CH:47]([N:50]2[CH2:51][CH2:52][CH:53]([c:56]3[cH:57][c:58]([C:59](=[O:60])[O:61][CH3:62])[cH:63][cH:64][cH:65]3)[CH2:54][CH2:55]2)[CH2:48][CH2:49]1.[CH2:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1>>[O:42]=[C:43]([OH:44])[C:45]1([CH:66]([CH3:67])[CH3:68])[CH2:46][CH:47]([N:50]2[CH2:51][CH2:52][CH:53]([c:56]3[cH:57][c:58]([C:59](=[O:60])[O:61][CH3:62])[cH:63][cH:64][cH:65]3)[CH2:54][CH2:55]2)[CH2:48][CH2:49]1

참가 물질

4

반응물 3

HCID 9253CyclopentaneHCID 768395844-(2,5-dimethylpyrrol-1-yl)-N-[[2-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopent-2-ene-1-carboxamideHCID 76839596Methyl 3-[1-(3-phenylmethoxycarbonyl-3-propan-2-ylcyclopentyl)piperidin-4-yl]benzoate

생성물 1

HCID 1784976763-[4-(3-methoxycarbonylphenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid

출처 및 근거

ORD 기록
ord-8cd975c0d0194eb2ad59e36cf0a29e77
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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