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Hydrochloric Acid → 3-[5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]propanoic acid

HRID 96736
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반응식

HRID 96736 반응식
[C:3](#[N:4])[c:5]1[cH:6][c:7](-[c:15]2[n:16][c:17](-[c:20]3[cH:21][c:22]4[cH:23][c:24]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[nH:25][c:26]4[cH:27][cH:28]3)[n:18][o:19]2)[cH:8][cH:9][c:10]1[O:11][CH:12]([CH3:13])[CH3:14].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH:42]([OH:43])([CH3:44])[CH3:45].[ClH:36].[Na+:2].[OH-:1].[OH2:46]>>[C:3](#[N:4])[c:5]1[cH:6][c:7](-[c:15]2[n:16][c:17](-[c:20]3[cH:21][c:22]4[cH:23][c:24]([CH2:29][CH2:30][C:31](=[O:32])[OH:33])[nH:25][c:26]4[cH:27][cH:28]3)[n:18][o:19]2)[cH:8][cH:9][c:10]1[O:11][CH:12]([CH3:13])[CH3:14]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 67025243Ethyl 3-[5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]propanoate

생성물 1

HCID 445471723-[5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]propanoic acid

출처 및 근거

ORD 기록
ord-588ae312142945ae813f93efed5b8b7a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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