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Chloride → N-(2-Methoxypyridin-4-yl)-5-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzamide

HRID 303742
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HRID 303742 반응식
[CH2:54]([Cl:55])[Cl:56].[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:26][O:27][C:28]1=[C:33]([O:34][CH3:35])[C:32](=[O:36])[C:31]([CH2:37][c:38]2[cH:39][cH:40][c:41]([O:47][C:48]([CH3:49])=[O:50])[c:42]([C:43](=[O:44])[OH:45])[cH:46]2)=[C:30]([CH3:51])[C:29]1=[O:52].[Cl-:17].[Cl:18][CH:19]1[N:20]([CH3:21])[CH2:22][CH2:23][NH+:24]1[CH3:25].[NH2:1][c:2]1[cH:3][c:4]([O:8][CH3:9])[n:5][cH:6][cH:7]1.[OH2:53]>>[NH:1]([c:2]1[cH:3][c:4]([O:8][CH3:9])[n:5][cH:6][cH:7]1)[C:43]([c:42]1[c:41]([O:47][C:48]([CH3:49])=[O:50])[cH:40][cH:39][c:38]([CH2:37][C:31]2=[C:30]([CH3:51])[C:29](=[O:52])[C:28]([O:27][CH3:26])=[C:33]([O:34][CH3:35])[C:32]2=[O:36])[cH:46]1)=[O:44]
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참가 물질

8

반응물 7

HCID 312ChlorideHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 2808912-Methoxypyridin-4-amineHCID 220542715-(5,6-Dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoic AcidHCID 575014672-Chloro-1,3-dimethylimidazolidin-1-ium

생성물 1

HCID 22054298N-(2-Methoxypyridin-4-yl)-5-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzamide

출처 및 근거

ORD 기록
ord-151916476b0547eb937366122221744f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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