O-Xylene → Mepronil

HRID 180836

반응식

HRID 180836 반응식
[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][cH:10]1.[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH:11]([CH3:12])([CH3:13])[O:14][c:15]1[cH:16][c:17]([NH2:18])[cH:19][cH:20][cH:21]1.[P:29]([Cl:30])([Cl:31])([Cl:32])=[O:33].[c:34]1([CH3:35])[c:36]([CH3:37])[cH:38][cH:39][cH:40][cH:41]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:6])[NH:18][c:17]2[cH:16][c:15]([O:14][CH:11]([CH3:12])[CH3:13])[cH:21][cH:20][cH:19]2)[cH:7][cH:8][cH:9][cH:10]1

참가 물질

6

출처 및 근거

ORD 기록
ord-309fb95cf1e44b2499933dba64c0216d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

불러오는 중…