1-Deoxy-1-(methylamino)hexitol → 1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-{5-[methyl-(2,3,4,5,6-pentahydroxyhexyl)amino]pentyloxy}phenyl)azetidin-2-one

HRID 143767

반응식

HRID 143767 반응식
[CH3:37][NH:38][CH2:39][CH:40]([CH:41]([CH:42]([CH:43]([CH2:44][OH:45])[OH:46])[OH:47])[OH:48])[OH:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:36])[CH:10]([CH2:25][CH2:26][CH:27]([OH:28])[c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[CH:11]2[c:12]2[cH:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][I:24])[cH:16][cH:17]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:36])[CH:10]([CH2:25][CH2:26][CH:27]([OH:28])[c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[CH:11]2[c:12]2[cH:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][N:38]([CH3:37])[CH2:39][CH:40]([CH:41]([CH:42]([CH:43]([CH2:44][OH:45])[OH:46])[OH:47])[OH:48])[OH:49])[cH:16][cH:17]2)[cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 40491-Deoxy-1-(methylamino)hexitolHCID 6228DimethylformamideHCID 22252033HCID 22252033, 화합물

생성물 1

HCID 222520581-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-{5-[methyl-(2,3,4,5,6-pentahydroxyhexyl)amino]pentyloxy}phenyl)azetidin-2-one

출처 및 근거

ORD 기록
ord-32309f54107f489497f5449245a624e9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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