Toluene → HCID 178445397, compound
Reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[C:22](=[CH2:23])[CH:24]([C:25](=[O:26])[NH:27][N:28]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:33][CH:34]([CH3:35])[CH3:36])[CH2:37][CH:38]([CH3:39])[CH3:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:8][CH2:9][N:10]([CH2:11][CH3:12])[CH2:13][CH3:14].[SH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[S:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:23][CH:22]([C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:21])[CH:24]([C:25](=[O:26])[NH:27][N:28]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:33][CH:34]([CH3:35])[CH3:36])[CH2:37][CH:38]([CH3:39])[CH3:40]Participants
6
Sources & evidence
- ORD record
- ord-5a79d9c6e2ba45bb9b1711af6472cb05
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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