Ethanol → 2,6-Dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-(2-[4-(2-hydroxyethoxy)phenyl]ethoxycarbonyl)-1,4-dihydropyridine

반응식

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

참가 물질

반응물 2

HCID 702Ethanol

HCID 201976202,6-Dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-(2-[4-(2-benzyloxyethoxy)phenyl]ethoxycarbonyl)-1,4-dihydropyridine

생성물 1

HCID 201976432,6-Dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-(2-[4-(2-hydroxyethoxy)phenyl]ethoxycarbonyl)-1,4-dihydropyridine

출처 및 근거

ORD 기록: ord-370b725871a34de7938ecb2266ced490
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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