N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamide → N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(quinolin-4-yloxy)-propyl]-piperazin-1-yl}acetamide

HRID 1230830

반응식

HRID 1230830 반응식
[CH3:1][c:2]1[c:3]([NH:9][C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH:19]([CH2:20][O:21][c:22]3[cH:23][cH:24][c:25]4[o:26][c:27](-[c:28]5[cH:29][cH:30][cH:31][c:32]([C:33]([F:34])([F:35])[F:36])[cH:37]5)[n:38][c:39]4[cH:40]3)[OH:41])[CH2:16][CH2:17]2)=[O:42])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[O:43]1[CH2:44][CH:45]1[CH2:46][O:47][c:48]1[cH:49][cH:50][n:51][c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]12>>[CH3:1][c:2]1[c:3]([NH:9][C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH:19]([CH2:20][O:21][c:48]3[cH:49][cH:50][n:51][c:52]4[cH:53][cH:54][cH:55][cH:56][c:57]34)[OH:41])[CH2:16][CH2:17]2)=[O:42])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1

참가 물질

3

반응물 2

HCID 10099786N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamideHCID 218922824-(Oxiran-2-ylmethoxy)quinoline

생성물 1

HCID 10204169N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(quinolin-4-yloxy)-propyl]-piperazin-1-yl}acetamide

출처 및 근거

ORD 기록
ord-148ef2750a8145f0b5c8c2474ba2b6fd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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