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Acetic Acid → 3-(2-Methyl-4-{[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-amino}-phenyl)-propionic acid methyl ester

HRID 701874
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반응식

HRID 701874 반응식
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:15][c:16]1[n:17][c:18](-[c:23]2[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]2)[s:19][c:20]1[CH:21]=[O:22].[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:13])[cH:8][c:9]([NH2:12])[cH:10][cH:11]1)=[O:14].[CH3:33][C:34](=[O:35])[OH:36].[Cl:51][CH2:52][Cl:53].[Na+:50]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:13])[cH:8][c:9]([NH:12][CH2:21][c:20]2[c:16]([CH3:15])[n:17][c:18](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[s:19]2)[cH:10][cH:11]1)=[O:14]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 923Sodium IonHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 27828994-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehydeHCID 54187007Methyl 3-(4-amino-2-methylphenyl)propanoate

생성물 1

HCID 69469495
3-(2-Methyl-4-{[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-amino}-phenyl)-propionic acid methyl ester

출처 및 근거

ORD 기록
ord-39fac529e02c4b70b2e03542a4c841b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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