Sodium ion → {2-chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorophenyl}-1-piperidinecarboxylate

HRID 312380

반응식

HRID 312380 반응식
[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Cl:1][c:2]1[cH:3][c:4]([F:22])[c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[cH:6][c:7]1[OH:8].[Cl:23][C:24](=[O:25])[N:26]1[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[H-:32].[Na+:33]>>[Cl:1][c:2]1[cH:3][c:4]([F:22])[c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[cH:6][c:7]1[O:8][C:24](=[O:25])[N:26]1[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1

참가 물질

6

반응물 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 2420851-Piperidinecarbonyl chlorideHCID 112677571-methyl-6-trifluoromethyl-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2,4(1H,3H)-pyrimidinedione

생성물 1

HCID 86743320{2-chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorophenyl}-1-piperidinecarboxylate

출처 및 근거

ORD 기록
ord-eecb3a0dd1e0485aa62c672a7f9e726e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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