2-(Trifluoromethoxy)thiophenol → HCID 24990446, 화합물

HRID 2321379

반응식

HRID 2321379 반응식
[CH2:48]([O:49][C:50](=[O:51])[C:52]([S:53][c:54]1[s:55][c:56]([NH2:57])[n:58][cH:59]1)([CH3:60])[CH3:61])[CH3:62].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[S:9][CH2:10][CH2:11][CH2:12][N:13]([C:14]([NH:15][c:16]1[s:17][c:18]([S:21][C:22]([C:23](=[O:24])[OH:25])([CH3:26])[CH3:27])[cH:19][n:20]1)=[O:28])[CH:29]1[CH2:30][CH2:31][CH:32]([CH3:35])[CH2:33][CH2:34]1.[F:36][C:37]([O:38][c:39]1[c:40]([SH:45])[cH:41][cH:42][cH:43][cH:44]1)([F:46])[F:47]>>[CH2:10]([CH2:11][CH2:12][N:13]([C:14]([NH:15][c:16]1[s:17][c:18]([S:21][C:22]([C:23](=[O:24])[OH:25])([CH3:26])[CH3:27])[cH:19][n:20]1)=[O:28])[CH:29]1[CH2:30][CH2:31][CH:32]([CH3:35])[CH2:33][CH2:34]1)[S:45][c:40]1[c:39]([O:38][C:37]([F:36])([F:46])[F:47])[cH:44][cH:43][cH:42][cH:41]1

참가 물질

4

반응물 3

HCID 27607322-(Trifluoromethoxy)thiophenolHCID 249871032-{2-[3-[3-(2-Methoxy-phenylsulfanyl)-propyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2-methyl-propionic acidHCID 57481427Ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methylpropanoate

생성물 1

HCID 24990446HCID 24990446, 화합물

출처 및 근거

ORD 기록
ord-6ef362439c094db19e9a29ed70342832
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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