Toluene → 2-(4-Cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)-N,N-dimethylethanethioamide
Reaction equation
[C:23](#[N:24])[c:25]1[c:26]([CH3:49])[c:27](-[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:28]([CH2:37][C:38](=[O:39])[N:40]([CH3:41])[CH3:42])[c:29]2[c:30]1[n:31][c:32]([CH:34]1[CH2:35][CH2:36]1)[o:33]2.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([P:7]2(=[S:8])[S:9][P:11](=[S:12])([c:13]3[cH:14][cH:15][c:16]([O:17][CH3:18])[cH:19][cH:20]3)[S:10]2)[cH:21][cH:22]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[S:10]=[C:38]([CH2:37][c:28]1[c:27](-[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:26]([CH3:49])[c:25]([C:23]#[N:24])[c:30]2[c:29]1[o:33][c:32]([CH:34]1[CH2:35][CH2:36]1)[n:31]2)[N:40]([CH3:41])[CH3:42]Participants
4
Sources & evidence
- ORD record
- ord-7a957df823524e37bb16ff6802c8e5e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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