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Ethanol → 5-[9-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]pentanoic acid

HRID 2149008
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인쇄 미리보기

반응식

HRID 2149008 반응식
[C:3](#[N:4])[c:5]1[cH:6][c:7](-[c:15]2[n:16][c:17](-[c:20]3[cH:21][cH:22][cH:23][c:24]4[c:30]3[O:29][CH2:28][CH2:27][N:26]([CH2:31][CH2:32][CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:25]4)[n:18][o:19]2)[cH:8][cH:9][c:10]1[O:11][CH:12]([CH3:13])[CH3:14].[CH3:40][CH2:41][OH:42].[Na+:2].[OH-:1]>>[C:3](#[N:4])[c:5]1[cH:6][c:7](-[c:15]2[n:16][c:17](-[c:20]3[cH:21][cH:22][cH:23][c:24]4[c:30]3[O:29][CH2:28][CH2:27][N:26]([CH2:31][CH2:32][CH2:33][CH2:34][C:35](=[O:36])[OH:37])[CH2:25]4)[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

5

반응물 4

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 59403540Ethyl 5-[9-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]pentanoate

생성물 1

HCID 441292205-[9-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]pentanoic acid

출처 및 근거

ORD 기록
ord-e8cf0de7e87743a1b75b15b7b42ee185
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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