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Chloride → N-Methyl-[5-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoyl]-4-methoxyaniline

HRID 317090
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HRID 317090 반응식
[CH2:55]([Cl:56])[Cl:57].[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:1][NH:2][c:3]1[cH:4][cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1.[CH3:27][O:28][C:29]1=[C:34]([O:35][CH3:36])[C:33](=[O:37])[C:32]([CH2:38][c:39]2[cH:40][cH:41][c:42]([O:48][C:49]([CH3:50])=[O:51])[c:43]([C:44](=[O:45])[OH:46])[cH:47]2)=[C:31]([CH3:52])[C:30]1=[O:53].[Cl-:18].[Cl:19][CH:20]1[N:21]([CH3:22])[CH2:23][CH2:24][NH+:25]1[CH3:26].[OH2:54]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1)[C:44]([c:43]1[c:42]([O:48][C:49]([CH3:50])=[O:51])[cH:41][cH:40][c:39]([CH2:38][C:32]2=[C:31]([CH3:52])[C:30](=[O:53])[C:29]([O:28][CH3:27])=[C:34]([O:35][CH3:36])[C:33]2=[O:37])[cH:47]1)=[O:45]
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참가 물질

8

반응물 7

HCID 312ChlorideHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 22250N-Methyl-4-anisidineHCID 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 22054325N-Methyl-[5-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoyl]-4-methoxyaniline

출처 및 근거

ORD 기록
ord-2f517a93d3824eb6aa86fc4b478d1ad6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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