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Acetic Acid → 1-Ethoxymethyl-2,6-dimethyl-3,5-di(carbomethoxy)-4-(3-nitrophenyl)-1,4-dihydropyridine

HRID 300223
노트
인쇄 미리보기

반응식

HRID 300223 반응식
[CH2:33]([O:34][CH2:35][Cl:36])[CH3:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][C:45](=[O:46])[OH:47].[CH3:6][C:7]1=[C:12]([C:13](=[O:14])[O:15][CH3:16])[CH:11]([c:17]2[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]2)[C:10]([C:26](=[O:27])[O:28][CH3:29])=[C:9]([CH3:30])[NH:8]1.[H-:31].[Na+:32].[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5]1>>[O:1]([CH2:2][CH3:3])[CH2:5][N:8]1[C:7]([CH3:6])=[C:12]([C:13](=[O:14])[O:15][CH3:16])[CH:11]([c:17]2[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]2)[C:10]([C:26](=[O:27])[O:28][CH3:29])=[C:9]1[CH3:30]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 18523Chloromethyl ethyl etherHCID 89082m-NifedipineHCID 166653Hydride

생성물 1

HCID 12602967
1-Ethoxymethyl-2,6-dimethyl-3,5-di(carbomethoxy)-4-(3-nitrophenyl)-1,4-dihydropyridine

출처 및 근거

ORD 기록
ord-45580b4dfd034a3185a02acb83012c34
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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