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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Formic Acid → 1-[3-[4-[5-[2-(Diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]azetidine-3-carboxylic acid

HRID 214111
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HRID 214111 반응식
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][N:7]([CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([CH2:37][CH3:38])[cH:15][c:16](-[c:20]3[n:21][o:22][c:23](-[c:25]4[cH:26][c:27]([N:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[n:28][c:29]([CH3:31])[cH:30]4)[n:24]3)[cH:17][c:18]2[CH3:19])[OH:39])[CH2:8]1.[CH3:43][OH:44].[CH:40]([OH:41])=[O:42].[Li+:51].[OH-:50]>>[O:2]=[C:3]([OH:4])[CH:5]1[CH2:6][N:7]([CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([CH2:37][CH3:38])[cH:15][c:16](-[c:20]3[n:21][o:22][c:23](-[c:25]4[cH:26][c:27]([N:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[n:28][c:29]([CH3:31])[cH:30]4)[n:24]3)[cH:17][c:18]2[CH3:19])[OH:39])[CH2:8]1
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반응물 6

HCID 284Formic AcidHCID 887MethanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 68579536Methyl 1-[3-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]azetidine-3-carboxylate

생성물 1

HCID 68577903
1-[3-[4-[5-[2-(Diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]azetidine-3-carboxylic acid

출처 및 근거

ORD 기록
ord-44ace0d5153747c7a9be9e0b8c275e65
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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