Toluene → HCID 11215611, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]2[c:11]([n:12][c:13]([S:16]([CH3:17])=[O:18])[n:14][cH:15]2)[n:19]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[c:20]1=[O:21])=[O:27].[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]1[CH2:36][CH2:37][N:38]([c:41]2[cH:42][n:43][c:44]([NH2:47])[cH:45][cH:46]2)[CH2:39][CH2:40]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]2[c:11]([n:12][c:13]([NH:47][c:44]3[n:43][cH:42][c:41]([N:38]4[CH2:37][CH2:36][N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:40][CH2:39]4)[cH:46][cH:45]3)[n:14][cH:15]2)[n:19]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[c:20]1=[O:21])=[O:27]Participants
4
Sources & evidence
- ORD record
- ord-c47f74a8e5a04200ae59be89750bea59
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…