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Bicarbonate Ion → Methyl 3-(4-fluorophenyl)-2-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyloxy]-3-oxopropanoate

HRID 202483
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HRID 202483 반응식
[C:42](=[O:43])([OH:44])[O-:45].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:15]=[CH:16][C:17](=[O:18])[OH:19])[cH:6][cH:7][c:8]1-[n:9]1[cH:10][n:11][c:12]([CH3:14])[cH:13]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[Cl:20][CH:21]([C:22](=[O:23])[O:24][CH3:25])[C:26](=[O:27])[c:28]1[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]1.[Na+:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:41]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:15]=[CH:16][C:17](=[O:18])[O:19][CH:21]([C:22](=[O:23])[O:24][CH3:25])[C:26](=[O:27])[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:6][cH:7][c:8]1-[n:9]1[cH:10][n:11][c:12]([CH3:14])[cH:13]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 58752226Methyl 2-chloro-3-(4-fluorophenyl)-3-oxopropionateHCID 668395163-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid

생성물

1
HCID 90989142Methyl 3-(4-fluorophenyl)-2-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoyloxy]-3-oxopropanoate

출처 및 근거

ORD 기록
ord-f93d508513ac4e249a3881598f2c9a99
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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