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3-Cyclobutyloxy-5-(2-oxopyrrolidin-1-yl)benzoic acid → N-[6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-cyclobutyloxy-5-(2-oxopyrrolidin-1-yl)benzamide

HRID 177886
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반응식

HRID 177886 반응식
[CH2:1]([CH:2]([NH:3][C:4](=[O:5])[c:6]1[cH:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][c:16]([N:17]2[CH2:18][CH2:19][CH2:20][C:21]2=[O:22])[cH:23]1)[CH:24]([OH:25])[CH2:26][CH:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH:44]1([O:48][c:49]2[cH:50][c:51]([C:52](=[O:53])[OH:54])[cH:55][c:56]([N:58]3[C:59](=[O:63])[CH2:60][CH2:61][CH2:62]3)[cH:57]2)[CH2:45][CH2:46][CH2:47]1.[CH:64]12[CH:65]([NH:71][C:72]([CH:73]([CH2:74][CH:75]([CH:76]([CH2:77][c:78]3[cH:79][cH:80][cH:81][cH:82][cH:83]3)[NH2:84])[OH:85])[CH3:86])=[O:87])[CH2:66][CH:67]([CH2:68][CH2:69]1)[CH2:70]2>>[CH:44]1([O:48][c:49]2[cH:50][c:51]([C:52](=[O:54])[NH:84][CH:76]([CH:75]([CH2:74][CH:73]([C:72]([NH:71][CH:65]3[CH:64]4[CH2:69][CH2:68][CH:67]([CH2:66]3)[CH2:70]4)=[O:87])[CH3:86])[OH:85])[CH2:77][c:78]3[cH:79][cH:80][cH:81][cH:82][cH:83]3)[cH:55][c:56]([N:58]3[C:59](=[O:63])[CH2:60][CH2:61][CH2:62]3)[cH:57]2)[CH2:45][CH2:46][CH2:47]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 222529923-Cyclobutyloxy-5-(2-oxopyrrolidin-1-yl)benzoic acidHCID 22253049N-[6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-phenylbenzamideHCID 1784505995-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxy-2-methyl-6-phenylhexanamide

생성물 1

HCID 22253016N-[6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-cyclobutyloxy-5-(2-oxopyrrolidin-1-yl)benzamide

출처 및 근거

ORD 기록
ord-c37a8f79fefb4cd3b763f76d206ef9e0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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