Water → N-[4-(3-chloro-5-trifluoromethyl-2-pyridyloxy)benzyl]-4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide

HRID 164856

반응식

HRID 164856 반응식
[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH3:6].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:34][c:35]1[cH:36][cH:37][c:38]([O:39][c:40]2[cH:41][cH:42][c:43]([CH2:44][NH:45][C:46](=[O:47])[c:48]3[c:49]([Cl:56])[c:50]([CH2:54][CH3:55])[n:51][n:52]3[CH3:53])[cH:57][cH:58]2)[cH:59][cH:60]1.[Cl:7][c:8]1[c:9]([O:18][c:19]2[cH:20][cH:21][c:22]([CH2:23][NH2:24])[cH:25][cH:26]2)[n:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1.[OH2:61]>>[Cl:7][c:8]1[c:9]([O:18][c:19]2[cH:20][cH:21][c:22]([CH2:23][NH:24][C:46](=[O:47])[c:48]3[c:49]([Cl:56])[c:50]([CH2:54][CH3:55])[n:51][n:52]3[CH3:53])[cH:25][cH:26]2)[n:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1

참가 물질

6

출처 및 근거

ORD 기록
ord-22541519aa174a15b9681b55629279e4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…