Toluene → methyl 2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-5-ethylbenzoate

HRID 302198

반응식

HRID 302198 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:12][c:13]2[cH:14][c:15]([C:25]([CH3:26])([CH3:27])[CH3:28])[n:16][n:17]2-[c:18]2[c:19]([CH3:24])[cH:20][cH:21][cH:22][cH:23]2)[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1.[CH2:29]([CH3:30])[B:31]([OH:32])[OH:33].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[c:2]1([CH2:29][CH3:30])[cH:3][cH:4][c:5]([NH:12][c:13]2[cH:14][c:15]([C:25]([CH3:26])([CH3:27])[CH3:28])[n:16][n:17]2-[c:18]2[c:19]([CH3:24])[cH:20][cH:21][cH:22][cH:23]2)[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1

참가 물질

5

출처 및 근거

ORD 기록
ord-9beb10ba0e0f40529b6d08f2f6985c9d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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