Sodium ion → diethyl 1-[2-[bis(1-methoxyethyl)amino]ethyl]-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate

HRID 111677

반응식

HRID 111677 반응식
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:38][CH2:39][CH2:40][N:41]([CH:42]([CH3:43])[O:44][CH3:45])[CH:46]([CH3:47])[O:48][CH3:49].[F:3][C:4]([c:5]1[c:6]([CH:11]2[C:12]([C:24](=[O:25])[O:26][CH2:27][CH3:28])=[C:13]([CH3:23])[NH:14][C:15]([CH3:22])=[C:16]2[C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:7][cH:8][cH:9][cH:10]1)([F:29])[F:30].[H-:1].[Na+:2].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[F:3][C:4]([c:5]1[c:6]([CH:11]2[C:12]([C:24](=[O:25])[O:26][CH2:27][CH3:28])=[C:13]([CH3:23])[N:14]([CH2:39][CH2:40][N:41]([CH:42]([CH3:43])[O:44][CH3:45])[CH:46]([CH3:47])[O:48][CH3:49])[C:15]([CH3:22])=[C:16]2[C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:7][cH:8][cH:9][cH:10]1)([F:29])[F:30]

참가 물질

7

반응물 6

HCID 923Sodium ionHCID 1140TolueneHCID 6228DimethylformamideHCID 166653HydrideHCID 1680891,4-Dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylic acid diethyl esterHCID 20281064N-(2-chloroethyl)-1-methoxy-N-(1-methoxyethyl)ethanamine

생성물 1

HCID 70489418diethyl 1-[2-[bis(1-methoxyethyl)amino]ethyl]-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate

출처 및 근거

ORD 기록
ord-572ed17528c1490997f7eeb9b2418688
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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