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-(2-phenyl-benzoxazol-5-yloxy)-propyl)-piperazin-1-yl}acetamide

HRID 2134877

반응식

HRID 2134877 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[c:26]([n:27][c:28](-[c:30]5[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]5)[o:29]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][c:51]2[o:52][c:53](-[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[n:60][c:61]2[cH:62]1>>[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[c:26]([n:27][c:28](-[c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[o:29]4)[cH:40]3)[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 22184711HCID 22184711, 화합물

생성물 1

HCID 10164690N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-phenyl-benzoxazol-5-yloxy)-propyl)-piperazin-1-yl}acetamide

출처 및 근거

ORD 기록
ord-d6540c3092f44b5ab606162926ee823f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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