Toluene → HCID 9977271, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:15]2[cH:16][c:17]3[c:18]([cH:26][cH:27]2)[NH:19][C:20](=[O:25])[O:21][C:22]3([CH3:23])[CH3:24])[cH:10][cH:11][c:12]1[C:13]#[N:14].[CH3:28][O:29][c:30]1[cH:31][cH:32][c:33]([P:34]2(=[S:37])[S:35][P:36]([c:38]3[cH:39][cH:40][c:41]([O:42][CH3:43])[cH:44][cH:45]3)(=[S:46])[S:47]2)[cH:48][cH:49]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:15]2[cH:16][c:17]3[c:18]([cH:26][cH:27]2)[NH:19][C:20](=[S:37])[O:21][C:22]3([CH3:23])[CH3:24])[cH:10][cH:11][c:12]1[C:13]#[N:14]Participants
4
Sources & evidence
- ORD record
- ord-b5822e94864541f99b4476737a4cdfdb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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