Toluene → HCID 56995103, compound
Reaction equation
[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[OH:1][c:2]1[cH:3][c:4]2[cH:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[n:12][c:13]2[c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1.[P:32]([O:33][c:34]1[cH:35][cH:36][c:37]([N+:40](=[O:41])[O-:42])[cH:38][cH:39]1)([S:43][CH2:44][CH3:45])([Cl:46])=[O:47]>>[O:1]([c:2]1[cH:3][c:4]2[cH:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[n:12][c:13]2[c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)[P:32]([O:33][c:34]1[cH:35][cH:36][c:37]([N+:40](=[O:41])[O-:42])[cH:38][cH:39]1)([S:43][CH2:44][CH3:45])=[O:47]Participants
6
Sources & evidence
- ORD record
- ord-6aa942e060734301adabde430f9a86ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…