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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dimethylformamide → {2-[2-({4-[3-[3-(4-Fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzylcarbamoyl}methoxy)ethoxy]ethoxy}acetic acid

HRID 1552380
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HRID 1552380 반응식
[C:33]([CH2:34][O:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][C:43](=[O:44])[OH:45])(=[O:46])[OH:47].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH3:72][CH2:73][N:74]([CH2:75][CH3:76])[CH2:77][CH3:78].[CH:48]([N:49]=[C:50]=[N:51][CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:32])[CH:11]([CH2:21][CH2:22][CH:23]([OH:24])[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH:12]2[c:13]2[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]2)[cH:7][cH:8]1.[OH:57][c:58]1[c:59]2[n:60][n:61][nH:62][c:63]2[cH:64][cH:65][cH:66]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:32])[CH:11]([CH2:21][CH2:22][CH:23]([OH:24])[c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH:12]2[c:13]2[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]2)[cH:7][cH:8]1)[C:43]([CH2:42][O:41][CH2:40][CH2:39][O:38][CH2:37][CH2:36][O:35][CH2:34][C:33](=[O:46])[OH:47])=[O:44]
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반응물 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 12734DiisopropylcarbodiimideHCID 837933,6,9-Trioxaundecanedioic acidHCID 121116221-(4-Aminomethylphenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-methoxyphenyl)azetidin-2-oneHCID 178418300HCID 178418300, 화합물

생성물 1

HCID 21083134
{2-[2-({4-[3-[3-(4-Fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzylcarbamoyl}methoxy)ethoxy]ethoxy}acetic acid

출처 및 근거

ORD 기록
ord-26ea6101bc66435e93c1eeb446e82aea
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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