Toluene → 3-Chloro-4-[3-[2-(4-chloro-phenyl)-2H-indazol-3-yl]-3-(2-methoxy-ethyl)-ureido]-benzoic acid methyl ester
Reaction equation
[CH3:22][O:23][C:24]([c:25]1[cH:26][c:27]([Cl:34])[c:28]([N:31]=[C:32]=[O:33])[cH:29][cH:30]1)=[O:35].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[c:16]2[NH:17][CH2:18][CH2:19][O:20][CH3:21])[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[c:16]2[N:17]([CH2:18][CH2:19][O:20][CH3:21])[C:32]([NH:31][c:28]2[c:27]([Cl:34])[cH:26][c:25]([C:24]([O:23][CH3:22])=[O:35])[cH:30][cH:29]2)=[O:33])[cH:6][cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-92caddb53f044017a14aaeb14ef2beb1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)