Toluene → 4-{4-[3-(2,6-Dichloro-phenyl)-5-isopropyl-3H-[1,2,3]triazol-4-ylmethoxy]-2-methyl-benzylamino}-benzoic acid methyl ester
Reaction equation
[CH2:39]([P:40]([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH3:19][O:20][C:21]([c:22]1[cH:23][cH:24][c:25]([NH:28][CH2:29][c:30]2[c:31]([CH3:37])[cH:32][c:33]([OH:36])[cH:34][cH:35]2)[cH:26][cH:27]1)=[O:38].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH3:77][CH2:78][CH2:79][CH2:80][CH2:81][CH2:82][CH3:83].[Cl:1][c:2]1[c:3](-[n:9]2[n:10][n: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:52]([C:53]([N:54]1[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1)=[O:60])=[N:61][C:62]([N:63]1[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1)=[O:69]>>[Cl:1][c:2]1[c:3](-[n:9]2[n:10][n:11][c:12]([CH:16]([CH3:17])[CH3:18])[c:13]2[CH2:14][O:15][c:33]2[cH:32][c:31]([CH3:37])[c:30]([CH2:29][NH:28][c:25]3[cH:24][cH:23][c:22]([C:21]([O:20][CH3:19])=[O:38])[cH:27][cH:26]3)[cH:35][cH:34]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-cc8c0d1c37724add8687f7dcd8217e82
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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