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1,1-Dichloroethane → Bis(2,4-hexadienyl) 4-(3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

HRID 1126570
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HRID 1126570 반응식
[CH2:1]([CH:2]=[CH:3][CH:4]=[CH:5][CH3:6])[O:7][C:8](=[O:9])[C:10]1=[C:11]([CH3:29])[NH:12][C:13]([CH3:28])=[C:14]([C:25](=[O:26])[OH:27])[CH:15]1[c:16]1[cH:17][c:18]([N+:22](=[O:23])[O-:24])[cH:19][cH:20][cH:21]1.[CH2:30]([CH:31]=[CH:32][CH:33]=[CH:34][CH3:35])[OH:36].[CH3:52][N:53]([CH3:54])[c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[CH:37]1([N:38]=[C:39]=[N:40][CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[Cl:61][CH:62]([Cl:63])[CH3:64]>>[CH2:1]([CH:2]=[CH:3][CH:4]=[CH:5][CH3:6])[O:7][C:8](=[O:9])[C:10]1=[C:11]([CH3:29])[NH:12][C:13]([CH3:28])=[C:14]([C:25](=[O:26])[O:27][CH2:30][CH:31]=[CH:32][CH:33]=[CH:34][CH3:35])[CH:15]1[c:16]1[cH:17][c:18]([N+:22](=[O:23])[O-:24])[cH:19][cH:20][cH:21]1
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반응물 5

HCID 63651,1-DichloroethaneHCID 81042,4-Hexadien-1-OLHCID 10868DicyclohexylcarbodiimideHCID 142844-(Dimethylamino)pyridineHCID 727405614-(3-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid mono (2,4-hexadienyl) ester

생성물 1

HCID 86741578
Bis(2,4-hexadienyl) 4-(3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

출처 및 근거

ORD 기록
ord-282d1c51e4e74e66a0b3501e903e8f10
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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