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Isopropanol → 3-[4-[3-(Tert-butylamino)-2-hydroxypropoxy]phenoxy]-4-phenylbut-3-en-2-one

HRID 107221
노트
인쇄 미리보기

반응식

HRID 107221 반응식
[C:29]([O-:30])(=[O:31])[C:32]([O-:33])=[O:34].[CH3:24][C:25]([CH3:26])([CH3:27])[NH2:28].[CH:35]([OH:36])([CH3:37])[CH3:38].[O:1]1[CH:2]([CH2:3][O:4][c:5]2[cH:6][cH:7][c:8]([O:9][C:10]([C:11]([CH3:12])=[O:13])=[CH:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:21][cH:22]2)[CH2:23]1>>[OH:1][CH:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([O:9][C:10]([C:11]([CH3:12])=[O:13])=[CH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22]1)[CH2:23][NH:28][C:25]([CH3:24])([CH3:26])[CH3:27]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 3776IsopropanolHCID 6385Tert-ButylamineHCID 71081OxalateHCID 538159283-[4-(Oxiran-2-ylmethoxy)phenoxy]-4-phenylbut-3-en-2-one

생성물 1

HCID 544233673-[4-[3-(Tert-butylamino)-2-hydroxypropoxy]phenoxy]-4-phenylbut-3-en-2-one

출처 및 근거

ORD 기록
ord-58da2b74a044452687fe0550934ef55e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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