Toluene → HCID 10312335, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH3:21])[c:4]2[c:5]([n:6][c:7]([S:10]([CH3:11])=[O:12])[n:8][cH:9]2)[n:13]([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[c:14]1=[O:15].[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH:30]([CH3:43])[CH2:31][N:32]([c:36]2[cH:37][n:38][c:39]([NH2:42])[cH:40][cH:41]2)[CH2:33][CH:34]1[CH3:35].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[Br:1][c:2]1[c:3]([CH3:21])[c:4]2[c:5]([n:6][c:7]([NH:42][c:39]3[n:38][cH:37][c:36]([N:32]4[CH2:31][CH:30]([CH3:43])[N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH:34]([CH3:35])[CH2:33]4)[cH:41][cH:40]3)[n:8][cH:9]2)[n:13]([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[c:14]1=[O:15]Participants
4
Sources & evidence
- ORD record
- ord-c98cf3f2f5b54581aaf376b8d8b6c668
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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