Trifluoroacetic acid → 2-[6-[(1-Butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 20164843Butyl 2-[[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-3-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoate

생성물 1

HCID 201649622-[6-[(1-Butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid

출처 및 근거

ORD 기록: ord-4a31dcdada184d1c9acb2102b917b88a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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