Trifluoroacetic acid → [3-(3-{(5-Isopropylpyridin-2-yl)[4-(trifluoromethoxy)benzyl]amino}propyl)phenoxy]acetic acid

HRID 1207142

반응식

HRID 1207142 반응식
[C:33]([CH3:35])([CH3:36])([CH:37]([Br:34])[C:38](=[O:39])[O-:40])[CH3:41].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([N:10]([CH2:11][CH2:12][CH2:13][c:14]2[cH:15][c:16]([OH:20])[cH:17][cH:18][cH:19]2)[CH2:21][c:22]2[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]2)[n:8][cH:9]1.[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([N:10]([CH2:11][CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:20][CH2:37][C:38](=[O:39])[OH:40])[cH:17][cH:18][cH:19]2)[CH2:21][c:22]2[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]2)[n:8][cH:9]1

참가 물질

4

반응물 3

HCID 6422Trifluoroacetic acidHCID 21584499Bromo-t-butylacetateHCID 596431683-(3-{(5-Isopropylpyridin-2-yl)[4-(trifluoromethoxy)benzyl]amino}propyl)phenol

생성물 1

HCID 59643342[3-(3-{(5-Isopropylpyridin-2-yl)[4-(trifluoromethoxy)benzyl]amino}propyl)phenoxy]acetic acid

출처 및 근거

ORD 기록
ord-57385d8ede1d4c05b1f9a302005c23a5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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