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Ethanol → 1-{[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]methyl}-4-piperidinecarboxylic acid

HRID 179454
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반응식

HRID 179454 반응식
[CH3:46][CH2:47][OH:48].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][cH:19][cH:20][c:21]4[c:22]([CH2:27][N:28]5[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:32][CH2:33]5)[cH:23][n:24]([CH3:26])[c:25]34)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[Na+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH-:39].[OH2:49]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][cH:19][cH:20][c:21]4[c:22]([CH2:27][N:28]5[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[OH:36])[CH2:32][CH2:33]5)[cH:23][n:24]([CH3:26])[c:25]34)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 59146087Ethyl 1-{[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]methyl}-4-piperidinecarboxylate

생성물 1

HCID 44548734
1-{[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]methyl}-4-piperidinecarboxylic acid

출처 및 근거

ORD 기록
ord-754f2441f38f48c38103b5e130f3cd16
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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