Trifluoroacetic acid → 4-([(4'-Difluoromethoxy-biphenyl-4-yl)-methyl-amino]-methyl)-5-methyl-furan-2-carboxylic acid

HRID 2122932

반응식

HRID 2122932 반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[o:6][c:7]([CH3:29])[c:8]([CH2:10][N:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16](-[c:19]3[cH:20][cH:21][c:22]([O:25][CH:26]([F:27])[F:28])[cH:23][cH:24]3)[cH:17][cH:18]2)[cH:9]1.[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH:30][C:31]([C:32]([F:33])([F:34])[F:35])=[O:36]>>[O:2]=[C:3]([OH:4])[c:5]1[o:6][c:7]([CH3:29])[c:8]([CH2:10][N:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16](-[c:19]3[cH:20][cH:21][c:22]([O:25][CH:26]([F:27])[F:28])[cH:23][cH:24]3)[cH:17][cH:18]2)[cH:9]1

참가 물질

4

반응물 3

HCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 588241664-([(4'-Difluoromethoxy-biphenyl-4-yl)-methyl-amino]-methyl)-5-methyl-furan-2-carboxylic acid methyl ester

생성물 1

HCID 184445654-([(4'-Difluoromethoxy-biphenyl-4-yl)-methyl-amino]-methyl)-5-methyl-furan-2-carboxylic acid

출처 및 근거

ORD 기록
ord-c4816e49e4764538b8a0d46809f6f577
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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