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Toluene → 3-O-methyl 5-O-[3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

HRID 152386
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HRID 152386 반응식
[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[OH:10])[CH:6]([c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[C:5]([C:20](=[O:21])[O:22][CH3:23])=[C:4]([CH3:24])[NH:3]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH:41]1([N:42]=[C:43]=[N:44][CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[n:25]1([CH2:30][c:31]2[cH:32][cH:33][c:34]([CH:37]=[CH:38][CH2:39][OH:40])[cH:35][cH:36]2)[n:26][cH:27][n:28][cH:29]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:40][CH2:39][CH:38]=[CH:37][c:34]2[cH:33][cH:32][c:31]([CH2:30][n:25]3[n:26][cH:27][n:28][cH:29]3)[cH:36][cH:35]2)[CH:6]([c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[C:5]([C:20](=[O:21])[O:22][CH3:23])=[C:4]([CH3:24])[NH:3]1
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참가 물질

5

반응물 4

HCID 1140TolueneHCID 10868DicyclohexylcarbodiimideHCID 1733222,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl esterHCID 541088983-[4-(1,2,4-Triazole-1-yl-methyl) phenyl]-2-propen-1-ol

생성물 1

HCID 678427093-O-methyl 5-O-[3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

출처 및 근거

ORD 기록
ord-60f07b89db3446d0ba176464a8117333
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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