Benzene → 5-Isopropyl-2-(N-benzenesulfonylcarbamoyl)-1,3-cyclohexanedione

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 76096Phenylsulphonyl isocyanate

HCID 5661065-(Isopropyl)cyclohexane-1,3-dione

생성물 1

HCID 203256095-Isopropyl-2-(N-benzenesulfonylcarbamoyl)-1,3-cyclohexanedione

출처 및 근거

ORD 기록: ord-1d28b5f3c0474ea5918bcb4777074a8d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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