Tetrahydrofuran → Methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylcarbamoylsulfanyl)benzoyl]amino]butanoate

반응식

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

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 234362202-Isocyanato-Thiazole

HCID 23436400Methyl 4-methylsulfanyl-2-[(2-phenyl-4-sulfanylbenzoyl)amino]butanoate

생성물 1

HCID 18361344Methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylcarbamoylsulfanyl)benzoyl]amino]butanoate

출처 및 근거

ORD 기록: ord-a33813be84b34f8883ecc3e957c81a68
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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