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Methanethiol → Ethyl 2-butyl-1-[[2'-(methoxycarbonyl)-(1,1'-biphenyl)-4-yl]-methyl]-4-(methylthio)-1H-imidazole-5-carboxylate

HRID 1145730
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HRID 1145730 반응식
[Br:19][CH2:20][c:21]1[cH:22][cH:23][c:24](-[c:27]2[c:28]([C:33](=[O:34])[O:35][CH3:36])[cH:29][cH:30][cH:31][cH:32]2)[cH:25][cH:26]1.[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[nH:6][c:7]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:8]([S:10][CH3:11])[n:9]1.[CH3:17][SH:18]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[c:28]([C:33](=[O:34])[O:35][CH3:36])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[c:7]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:8]([S:10][CH3:11])[n:9]1
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4

반응물 3

HCID 878MethanethiolHCID 9859628Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylateHCID 11012181Methyl 4'-(bromomethyl)biphenyl-2-carboxylate

생성물 1

HCID 21479063Ethyl 2-butyl-1-[[2'-(methoxycarbonyl)-(1,1'-biphenyl)-4-yl]-methyl]-4-(methylthio)-1H-imidazole-5-carboxylate

출처 및 근거

ORD 기록
ord-946693508ca447d18e3742d739283d21
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D
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