N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamide → HCID 10115650, 화합물

HRID 88638

반응식

HRID 88638 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]([OH:20])[CH2:21][O:22][c:23]3[cH:24][cH:25][c:26]4[o:27][c:28](-[c:29]5[cH:30][cH:31][cH:32][c:33]([C:34]([F:35])([F:36])[F:37])[cH:38]5)[n:39][c:40]4[cH:41]3)[CH2:16][CH2:17]2)=[O:42])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:43][c:44]1[n:45][c:46]2[cH:47][c:48]([O:54][CH2:55][CH:56]3[O:57][CH2:58]3)[cH:49][cH:50][c:51]2[cH:52][cH:53]1>>[CH3:1][c:2]1[c:3]([NH:9][C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH2:58][CH:56]([CH2:55][O:54][c:48]3[cH:47][c:46]4[n:45][c:44]([CH3:43])[cH:53][cH:52][c:51]4[cH:50][cH:49]3)[OH:57])[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 225915922-Methyl-7-(oxiran-2-ylmethoxy)quinoline

생성물 1

HCID 10115650HCID 10115650, 화합물

출처 및 근거

ORD 기록
ord-5cfff7dfffd44e0497d2a76efeb0a5d9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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