Toluene → 4-[2-(2,6-Dichloro-phenyl)-4-isopropyl-2H-pyrazol-3-ylmethoxy]-2-methyl-phenylamine
Reaction equation
[CH2:28]([P:29]([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH3:40].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[Cl:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][c:12]([CH:16]([CH3:17])[CH3:18])[c:13]2[CH2:14][OH:15])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[N:41]([C:42]([N:43]1[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1)=[O:49])=[N:50][C:51]([N:52]1[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1)=[O:58].[NH2:19][c:20]1[c:21]([CH3:27])[cH:22][c:23]([OH:26])[cH:24][cH:25]1>>[Cl:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][c:12]([CH:16]([CH3:17])[CH3:18])[c:13]2[CH2:14][O:15][c:23]2[cH:22][c:21]([CH3:27])[c:20]([NH2:19])[cH:25][cH:24]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-d755add2253c488da931a552d317e143
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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