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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Ethanol → [6-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]acetic acid

HRID 1234470
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인쇄 미리보기

반응식

HRID 1234470 반응식
[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O-:6])[N:7]1[CH2:8][c:9]2[cH:10][cH:11][c:12](-[c:18]3[n:19][o:20][c:21](-[c:23]4[cH:24][c:25]([Cl:33])[c:26]([O:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:22]3)[c:13]([CH3:17])[c:14]2[CH2:15][CH2:16]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[CH3:41][CH2:42][OH:43].[Na+:35].[OH-:34]>>[CH2:3]([C:4](=[O:5])[OH:6])[N:7]1[CH2:8][c:9]2[cH:10][cH:11][c:12](-[c:18]3[n:19][o:20][c:21](-[c:23]4[cH:24][c:25]([Cl:33])[c:26]([O:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:22]3)[c:13]([CH3:17])[c:14]2[CH2:15][CH2:16]1
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참가 물질

7

반응물 6

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 178454757HCID 178454757, 화합물

생성물 1

HCID 57505835
[6-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]acetic acid

출처 및 근거

ORD 기록
ord-05c0c4e2d9c7484cadff2b5b3ab24bab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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