Ammonium → 2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-{4-[2-(naphthalen-1-yl)ethyl]-1,3-thiazol-2-yl}piperidin-1-yl)ethanone

HRID 88764

반응식

[CH3:1][c:2]1[cH:3][c:4]([C:33]([F:34])([F:35])[F:36])[n:5][n:6]1[CH2:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([c:16]2[s:17][cH:18][c:19]([C:21]#[C:22][c:23]3[cH:24][cH:25][cH:26][c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]34)[n:20]2)[CH2:14][CH2:15]1.[CH3:37][OH:38].[NH4+:39]>>[CH3:1][c:2]1[cH:3][c:4]([C:33]([F:34])([F:35])[F:36])[n:5][n:6]1[CH2:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([c:16]2[s:17][cH:18][c:19]([CH2:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]34)[n:20]2)[CH2:14][CH2:15]1

참가 물질

반응물 3

HCID 223Ammonium

HCID 887Methanol

HCID 671561522-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-{4-[4-(naphthalen-1-ylethynyl)-1,3-thiazol-2-yl]piperidin-1-yl}ethanone

생성물 1

HCID 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)ethanone

출처 및 근거

ORD 기록: ord-f14de89dde9647d884b5beeae8ae3876
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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