2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid → 1-{4-[5-Bromo-4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone

HRID 135327

반응식

HRID 135327 반응식
[Br:1][c:2]1[c:3]([CH2:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[n:4][c:5]([CH:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[s:6]1.[CH3:21][c:22]1[cH:23][c:24]([C:53]([F:54])([F:55])[F:56])[n:25][n:26]1[CH2:27][C:28](=[O:29])[N:30]1[CH2:31][CH2:32][CH:33]([c:34]2[s:35][cH:36][c:37]([CH2:38][CH2:39][c:40]3[c:41]4[c:42]([cH:43][cH:44][cH:45][cH:46]4)[cH:47][cH:48][cH:49]3)[n:50]2)[CH2:51][CH2:52]1.[CH3:57][c:58]1[n:59]([CH2:60][C:61]([OH:62])=[O:63])[n:64][c:65]([C:66]([F:67])([F:68])[F:69])[cH:70]1>>[Br:1][c:2]1[c:3]([CH2:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[n:4][c:5]([CH:7]2[CH2:8][CH2:9][N:10]([C:28]([CH2:27][n:26]3[c:22]([CH3:21])[cH:23][c:24]([C:53]([F:54])([F:55])[F:56])[n:25]3)=[O:29])[CH2:11][CH2:12]2)[s:6]1

참가 물질

4

반응물 3

HCID 5961182-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acidHCID 671566622-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-{4-[2-(naphthalen-1-yl)ethyl]-1,3-thiazol-2-yl}piperidin-1-yl)ethanoneHCID 671568564-[5-Bromo-4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidine

생성물 1

HCID 671564001-{4-[5-Bromo-4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone

출처 및 근거

ORD 기록
ord-191db23a2c6f4ec48b03a001229104b9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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