Toluene → HCID 178504654, compound
Reaction equation
[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH:1][c:2]1[cH:3][c:4]2[c:5](=[O:22])[c:6]3[cH:7][cH:8][c:9]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:10][c:11]3[nH:12][c:13]2[c:14]([C:16]#[N:17])[cH:15]1.[P:35]([O:36][c:37]1[cH:38][c:39]([Br:43])[cH:40][cH:41][cH:42]1)([S:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)([Cl:51])=[O:52]>>[O:1]([c:2]1[cH:3][c:4]2[c:5](=[O:22])[c:6]3[cH:7][cH:8][c:9]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:10][c:11]3[nH:12][c:13]2[c:14]([C:16]#[N:17])[cH:15]1)[P:35]([O:36][c:37]1[cH:38][c:39]([Br:43])[cH:40][cH:41][cH:42]1)([S:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:52]Participants
6
Sources & evidence
- ORD record
- ord-a9b0f29aa2e348fd876fb6149e9bb388
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…