Toluene → HCID 68903059, compound
Reaction equation
[CH3:18][O:19][C:20]([CH3:21])([CH3:22])[O:23][CH3:24].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[OH:1][CH2:2][CH2:3][NH:4][c:5]1[s:6][cH:7][c:8](-[c:10]2[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]2)[n:9]1.[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:5]2[s:6][cH:7][c:8](-[c:10]3[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]3)[n:9]2)[C:20]1([CH3:21])[CH3:22]Participants
5
Sources & evidence
- ORD record
- ord-d8f6ecd6ee794027b23cbf487e59cabe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…