Benzene → 5-sec.-BUTYL-2-(N-p-TOLUENESULFONYLCARBAMOYL)-1,3-CYCLOHEXANEDIONE

HRID 98047

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 77703p-Toluenesulfonyl isocyanate

HCID 203256175-(Butan-2-yl)cyclohexane-1,3-dione

생성물 1

HCID 203256215-sec.-BUTYL-2-(N-p-TOLUENESULFONYLCARBAMOYL)-1,3-CYCLOHEXANEDIONE

출처 및 근거

ORD 기록: ord-da52e1a80afd460e9a799f26662dac41
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

불러오는 중…