Benzoic Acid → 1-Benzoyl-4-(1-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}ethyl)piperidine

HRID 135039

반응식

HRID 135039 반응식
[CH3:1][C:2]([CH3:3])([S:4](=[O:5])(=[O:6])[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1)[CH:17]1[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[OH:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][C:2]([CH3:3])([S:4](=[O:5])(=[O:6])[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1)[CH:17]1[CH2:18][CH2:19][N:20]([C:24](=[O:23])[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:21][CH2:22]1

참가 물질

5

출처 및 근거

ORD 기록
ord-51e014ed51c24cb7a7ecb69c8035763f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…