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Bicarbonate Ion → N-(2-Dimethylaminopyridin-3-yl)-5-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-hydroxybenzamide

HRID 1143143
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HRID 1143143 반응식
[CH3:1][N:2]([c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[NH:9][C:10]([c:11]1[c:12]([O:31][C:32](=[O:33])[CH3:34])[cH:13][cH:14][c:15]([CH2:17][C:18]2=[C:23]([CH3:24])[C:22](=[O:25])[C:21]([O:26][CH3:27])=[C:20]([O:28][CH3:29])[C:19]2=[O:30])[cH:16]1)=[O:35])[CH3:36].[CH3:42][OH:43].[Na+:37].[OH2:44].[OH:38][C:39](=[O:40])[O-:41]>>[CH3:1][N:2]([c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[NH:9][C:10]([c:11]1[c:12]([OH:31])[cH:13][cH:14][c:15]([CH2:17][C:18]2=[C:23]([CH3:24])[C:22](=[O:25])[C:21]([O:26][CH3:27])=[C:20]([O:28][CH3:29])[C:19]2=[O:30])[cH:16]1)=[O:35])[CH3:36]
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참가 물질

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반응물 5

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium IonHCID 962WaterHCID 22054319N-(2-Dimethylaminopyridin-3-yl)-5-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzamide

생성물 1

HCID 22054351N-(2-Dimethylaminopyridin-3-yl)-5-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-hydroxybenzamide

출처 및 근거

ORD 기록
ord-334e123759ff4e079d7d043b39d6fbb1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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