Benzene → 5-PHENYL-2-[N-p-TOLUENESULFONYLCARBAMOYL]-1,3-CYCLOHEXANEDIONE

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 77703p-Toluenesulfonyl isocyanate

HCID 5689621,3-Cyclohexanedione, 5-phenyl-

생성물 1

HCID 203256015-PHENYL-2-[N-p-TOLUENESULFONYLCARBAMOYL]-1,3-CYCLOHEXANEDIONE

출처 및 근거

ORD 기록: ord-67d6e942278f4b0e90158be6c9442999
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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