1-Deoxy-1-(methylamino)hexitol → 1-(4-Fluorophenyl)-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-{8-[methyl-(2,3,4,5,6-pentahydroxyhexyl)amino]octyloxy}phenyl)azetidin-2-one

HRID 1117742

반응식

HRID 1117742 반응식
[CH3:40][NH:41][CH2:42][CH:43]([CH:44]([CH:45]([CH:46]([CH2:47][OH:48])[OH:49])[OH:50])[OH:51])[OH:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:39])[CH:10]([CH2:28][CH2:29][CH:30]([OH:31])[c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]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][CH2:24][CH2:25][CH2:26][I:27])[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:39])[CH:10]([CH2:28][CH2:29][CH:30]([OH:31])[c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]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][CH2:24][CH2:25][CH2:26][N:41]([CH3:40])[CH2:42][CH:43]([CH:44]([CH:45]([CH:46]([CH2:47][OH:48])[OH:49])[OH:50])[OH:51])[OH:52])[cH:16][cH:17]2)[cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 40491-Deoxy-1-(methylamino)hexitolHCID 6228DimethylformamideHCID 22252053HCID 22252053, 화합물

생성물 1

HCID 222521161-(4-Fluorophenyl)-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-{8-[methyl-(2,3,4,5,6-pentahydroxyhexyl)amino]octyloxy}phenyl)azetidin-2-one

출처 및 근거

ORD 기록
ord-940eae3ef5e84609987a0d9ba5ed02e3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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