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Ethanol → 2-[(2,6-Dichlorobenzoyl)amino]-3-[3-methyl-4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoic acid

HRID 1141963
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반응식

HRID 1141963 반응식
[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[O:7])[c:8]1[c:9]([Cl:15])[cH:10][cH:11][cH:12][c:13]1[Cl:14])[CH2:16][c:17]1[cH:18][c:19]([CH3:34])[c:20](-[c:23]2[c:24](=[O:33])[n:25]([CH3:32])[c:26](=[O:31])[n:27]([CH3:30])[c:28]2[CH3:29])[cH:21][cH:22]1)=[O:35].[CH3:38][CH2:39][OH:40].[Na+:37].[OH-:36]>>[O:2]=[C:3]([CH:4]([NH:5][C:6](=[O:7])[c:8]1[c:9]([Cl:15])[cH:10][cH:11][cH:12][c:13]1[Cl:14])[CH2:16][c:17]1[cH:18][c:19]([CH3:34])[c:20](-[c:23]2[c:24](=[O:33])[n:25]([CH3:32])[c:26](=[O:31])[n:27]([CH3:30])[c:28]2[CH3:29])[cH:21][cH:22]1)[OH:35]
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반응물 4

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 22613749Methyl 2-[(2,6-dichlorobenzoyl)amino]-3-[3-methyl-4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoate

생성물 1

HCID 226137632-[(2,6-Dichlorobenzoyl)amino]-3-[3-methyl-4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoic acid

출처 및 근거

ORD 기록
ord-4e0944020ab94d41b97abb65ce178077
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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