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Acetic Acid → 1-[(2-Ethyl-3-{2-[4-[(1-methylethyl)oxy]-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}phenyl)methyl]-3-azetidinecarboxylic acid

HRID 177095
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HRID 177095 반응식
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH2:1]([CH3:2])[c:3]1[c:4]([CH:5]=[O:6])[cH:7][cH:8][cH:9][c:10]1-[c:11]1[cH:12][n:13][c:14](-[c:16]2[cH:17][c:18]([C:26]([F:27])([F:28])[F:29])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]2)[s:15]1.[CH3:37][C:38](=[O:39])[OH:40].[Cl:55][CH2:56][Cl:57].[NH:30]1[CH2:31][CH:32]([C:34](=[O:35])[OH:36])[CH2:33]1.[Na+:54]>>[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:5][N:30]2[CH2:31][CH:32]([C:34](=[O:35])[OH:36])[CH2:33]2)[cH:7][cH:8][cH:9][c:10]1-[c:11]1[cH:12][n:13][c:14](-[c:16]2[cH:17][c:18]([C:26]([F:27])([F:28])[F:29])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]2)[s:15]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 923Sodium IonHCID 6344DichloromethaneHCID 931923-azetidinecarboxylic AcidHCID 2724942TriacetoxyborohydrideHCID 866590062-Ethyl-3-{2-[4-[(1-methylethyl)oxy]-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}benzaldehyde

생성물 1

HCID 54576722
1-[(2-Ethyl-3-{2-[4-[(1-methylethyl)oxy]-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}phenyl)methyl]-3-azetidinecarboxylic acid

출처 및 근거

ORD 기록
ord-53642620bbe541b1a9f992b515c7de0d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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