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Toluene → 6-(1-Imidazolylmethyl)benzoxazol-2-yl-methyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

HRID 108258
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HRID 108258 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.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH:42]1([N:43]=[C:44]=[N:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[OH:25][CH2:26][c:27]1[o:28][c:29]2[c:30]([n:31]1)[cH:32][cH:33][c:34]([CH2:36][c:37]1[nH:38][cH:39][cH:40][n:41]1)[cH:35]2>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:26][c:27]2[o:28][c:29]3[c:30]([n:31]2)[cH:32][cH:33][c:34]([CH2:36][c:37]2[n:38][cH:39][cH:40][nH:41]2)[cH:35]3)[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 700470352-Hydroxymethyl-6-(1-imidazolylmethyl)benzoxazole

생성물 1

HCID 700480446-(1-Imidazolylmethyl)benzoxazol-2-yl-methyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

출처 및 근거

ORD 기록
ord-61e0a6f9705548229dedcc38c9bf4a8c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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