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Potassium Cation → 1-[4-(4-Ethynyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone

HRID 1216454
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HRID 1216454 반응식
[C:27](=[O:28])([O-:29])[O-:30].[CH3:1][c:2]1[cH:3][c:4]([C:23]([F:24])([F:25])[F:26])[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]([CH:21]=[O:22])[n:20]2)[CH2:14][CH2:15]1.[CH3:45][OH:46].[K+:31].[K+:32].[N+:33](=[C:34]([P:35](=[O:36])([O:37][CH3:38])[O:39][CH3:40])[C:41](=[O:42])[CH3:43])=[N-:44]>>[CH3:1][c:2]1[cH:3][c:4]([C:23]([F:24])([F:25])[F:26])[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]#[CH:27])[n:20]2)[CH2:14][CH2:15]1
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참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 887MethanolHCID 19660Carbonate IonHCID 866312444-(4-formyl-2-thiazolyl)-1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]piperidineHCID 136023029(1E)-1-diazo-1-dimethoxyphosphorylpropan-2-one

생성물 1

HCID 86642047
1-[4-(4-Ethynyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone

출처 및 근거

ORD 기록
ord-516cae2dfa944d2ea44e07793cef2fec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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