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

HRID 665108
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인쇄 미리보기

반응식

HRID 665108 반응식
[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[c:21](=[O:30])[n:22]([CH3:29])[c:23](=[O:28])[n:24]([CH3:27])[c:25]2[CH3:26])[cH:18][cH:19]1)=[O:31].[CH3:34][CH2:35][OH:36].[Na+:33].[OH-:32].[OH2:37]>>[O:2]=[C:3]([CH:4]([NH:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[c:21](=[O:30])[n:22]([CH3:29])[c:23](=[O:28])[n:24]([CH3:27])[c:25]2[CH3:26])[cH:18][cH:19]1)[OH:31]
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반응물 5

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 22613759Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoate

생성물 1

HCID 226137152-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoic acid

출처 및 근거

ORD 기록
ord-32ff9905ed7e4efcac770b81f6e37353
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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