Toluene → 1-[2-(3-Bromo-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionyl]-3-methyl-urea

반응식

[Br:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH2:15])[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[CH3:22][N:23]=[C:24]=[O:25].[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[Br:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][C:24]([NH:23][CH3:22])=[O:25])[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]

참가 물질

반응물 3

HCID 1140Toluene

HCID 12228Methyl Isocyanate

HCID 186266382-(3-Bromo-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionamide

생성물 1

HCID 186266221-[2-(3-Bromo-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionyl]-3-methyl-urea

출처 및 근거

ORD 기록: ord-2434734a78854946851c51675a0a8704
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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