Trifluoroacetic acid → 3-(2-Chloro-3-((4-(2-ethylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)phenethoxy)propanoic acid

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 58168518Tert-butyl 3-(2-chloro-3-((4-(2-ethylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)phenethoxy)propanoate

생성물 1

HCID 581684923-(2-Chloro-3-((4-(2-ethylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)phenethoxy)propanoic acid

출처 및 근거

ORD 기록: ord-d2cf55c024c745ff90068e621b84b2fe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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