Toluene → HCID 86629872, compound
Reaction equation
[C:28](=[O:29])([n:30]1[cH:31][cH:32][n:33][cH:34]1)[n:35]1[cH:36][cH:37][n:38][cH:39]1.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[n:7][c:8]([NH2:11])[s:9][cH:10]1)=[O:12].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][N:48]([c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1)[CH3:55].[CH:13]1([CH2:18][NH:19][c:20]2[cH:21][c:22]([F:27])[c:23]([F:26])[cH:24][cH:25]2)[CH2:14][CH2:15][CH2:16][CH2:17]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[n:7][c:8]([NH:11][C:28]([N:19]([CH2:18][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17]2)[c:20]2[cH:21][c:22]([F:27])[c:23]([F:26])[cH:24][cH:25]2)=[O:29])[s:9][cH:10]1)=[O:12]Participants
6
Sources & evidence
- ORD record
- ord-7ca36b9b99b9443fad3c288b9858df8e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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