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Acetate → Methyl 1-{2-[3-(2-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-5-fluoro-2-(methyloxy)phenyl]ethyl}-3-azetidinecarboxylate

HRID 2143789
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인쇄 미리보기

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HRID 2143789 반응식
[CH3:29][C:30](=[O:31])[OH:32].[CH3:34][C:35](=[O:36])[O-:37].[CH3:46][CH2:47][OH:48].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[s:13][c:14](-[c:17]3[c:18]([O:27][CH3:28])[c:19]([CH2:24][CH:25]=[O:26])[cH:20][c:21]([F:23])[cH:22]3)[cH:15][n:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[NH:38]1[CH2:39][CH:40]([C:42](=[O:43])[O:44][CH3:45])[CH2:41]1.[Na+:33]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[s:13][c:14](-[c:17]3[c:18]([O:27][CH3:28])[c:19]([CH2:24][CH2:25][N:38]4[CH2:39][CH:40]([C:42](=[O:43])[O:44][CH3:45])[CH2:41]4)[cH:20][c:21]([F:23])[cH:22]3)[cH:15][n:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 175AcetateHCID 176Acetic AcidHCID 702EthanolHCID 923Sodium IonHCID 20132751Methyl azetidine-3-carboxylateHCID 58494083[3-(2-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-5-fluoro-2-(methyloxy)phenyl]acetaldehyde

생성물 1

HCID 58494059
Methyl 1-{2-[3-(2-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3-thiazol-5-yl)-5-fluoro-2-(methyloxy)phenyl]ethyl}-3-azetidinecarboxylate

출처 및 근거

ORD 기록
ord-2e8b1064dbf34be0a50bdee255cef5ca
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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