Trifluoroacetic acid → 5-(2-Chloro-4-methoxycarbonylmethyl-phenyl)-3-phenyl-isoxazole-4-carboxylic acid

HRID 1564348

반응식

HRID 1564348 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[n:10][o:11][c:12]1-[c:13]1[c:14]([Cl:24])[cH:15][c:16]([CH2:19][C:20](=[O:21])[O:22][CH3:23])[cH:17][cH:18]1.[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[O:5]=[C:6]([OH:7])[c:8]1[c:9](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[n:10][o:11][c:12]1-[c:13]1[c:14]([Cl:24])[cH:15][c:16]([CH2:19][C:20](=[O:21])[O:22][CH3:23])[cH:17][cH:18]1

참가 물질

3

반응물 2

HCID 6422Trifluoroacetic acidHCID 686483585-(2-Chloro-4-methoxycarbonylmethyl-phenyl)-3-phenyl-isoxazole-4-carboxylic acid tert-butyl ester

생성물 1

HCID 595203935-(2-Chloro-4-methoxycarbonylmethyl-phenyl)-3-phenyl-isoxazole-4-carboxylic acid

출처 및 근거

ORD 기록
ord-155f82252b7146f58ee8c2ecc103640e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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