4-tert-Butylbenzenesulfonamide → 4-tert-Butyl-N-[({2-[4-(3,5-dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethyl}amino)carbonyl]benzenesulfonamide

HRID 286712

반응식

HRID 286712 반응식
[C:32]([CH3:33])([CH3:34])([CH3:35])[c:36]1[cH:37][cH:38][c:39]([S:42](=[O:43])(=[O:44])[NH2:45])[cH:40][cH:41]1.[CH3:1][c:2]1[n:3][n:4](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][C:23]([O:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[cH:18][cH:19]2)[c:5]([CH3:13])[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[CH3:1][c:2]1[n:3][n:4](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][C:23](=[O:31])[NH:45][S:42]([c:39]3[cH:38][cH:37][c:36]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:41][cH:40]3)(=[O:43])=[O:44])[cH:18][cH:19]2)[c:5]([CH3:13])[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1

참가 물질

3

반응물 2

HCID 2228724-tert-ButylbenzenesulfonamideHCID 22244550Phenyl 2-[4-(3,5-dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethylcarbamate

생성물 1

HCID 222445224-tert-Butyl-N-[({2-[4-(3,5-dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethyl}amino)carbonyl]benzenesulfonamide

출처 및 근거

ORD 기록
ord-5a1113a6aa534290abfc9430d795b5ae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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