Thiophenol → 2-Methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-(3-phenylsulfanyl-propyl)-ureido]-thiazol-5-ylsulfanyl}-propionic acid

HRID 92863

반응식

HRID 92863 반응식
[CH2:43]([O:44][C:45](=[O:46])[C:47]([S:48][c:49]1[s:50][c:51]([NH2:52])[n:53][cH:54]1)([CH3:55])[CH3:56])[CH3:57].[CH3:1][O:2][c:3]1[c:4]([S:9][CH2:10][CH2:11][CH2:12][N:13]([C:14]([NH:15][c:16]2[s:17][c:18]([S:21][C:22]([C:23](=[O:24])[OH:25])([CH3:26])[CH3:27])[cH:19][n:20]2)=[O:28])[CH:29]2[CH2:30][CH2:31][CH:32]([CH3:35])[CH2:33][CH2:34]2)[cH:5][cH:6][cH:7][cH:8]1.[SH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[cH:3]1[c:4]([S:9][CH2:10][CH2:11][CH2:12][N:13]([C:14]([NH:15][c:16]2[s:17][c:18]([S:21][C:22]([C:23](=[O:24])[OH:25])([CH3:26])[CH3:27])[cH:19][n:20]2)=[O:28])[CH:29]2[CH2:30][CH2:31][CH:32]([CH3:35])[CH2:33][CH2:34]2)[cH:5][cH:6][cH:7][cH:8]1

참가 물질

4

반응물 3

HCID 7969ThiophenolHCID 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 249874602-Methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-(3-phenylsulfanyl-propyl)-ureido]-thiazol-5-ylsulfanyl}-propionic acid

출처 및 근거

ORD 기록
ord-ee230aa711674158b624ab951593b1df
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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