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Water → 2-Isopropoxy-3-(4-{2-[1-(4-methoxy-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethoxy}-phenyl)-propionic acid methyl ester

HRID 1239146
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HRID 1239146 반응식
[C:47](=[O:48])([O-:49])[O-:50].[CH3:18][O:19][c:20]1[cH:21][cH:22][c:23]([CH2:24][N:25]2[C:26](=[O:44])[N:27]([CH3:43])[CH:28]([CH2:30][CH2:31][O:32][S:33]([c:34]3[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]3)(=[O:41])=[O:42])[CH2:29]2)[cH:45][cH:46]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([OH:12])[cH:10][cH:11]1)[O:13][CH:14]([CH3:15])[CH3:16])=[O:17].[Cs+:51].[Cs+:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:58]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][CH2:31][CH2:30][CH:28]2[N:27]([CH3:43])[C:26](=[O:44])[N:25]([CH2:24][c:23]3[cH:22][cH:21][c:20]([O:19][CH3:18])[cH:46][cH:45]3)[CH2:29]2)[cH:10][cH:11]1)[O:13][CH:14]([CH3:15])[CH3:16])=[O:17]
참가 물질출처 및 근거반응 노트

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7

반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 149239963-(4-Hydroxyphenyl)-2-isopropoxypropanoic acid methyl esterHCID 57719164Toluene-4-sulfonic acid 2-[1-(4-methoxy-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethyl ester

생성물 1

HCID 68867461
2-Isopropoxy-3-(4-{2-[1-(4-methoxy-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethoxy}-phenyl)-propionic acid methyl ester

출처 및 근거

ORD 기록
ord-af4cc776e9d848b28da78193f8d0d8ef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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