Toluene → HCID 59334899, compound
Reaction equation
[CH3:43][N:44]([CH2:45][CH2:46][NH2:47])[CH3:48].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:5]([N:6]([CH:7]([CH3:8])[CH3:9])[CH2:10][CH3:11])([CH3:12])[CH3:13].[Cl:14][c:15]1[cH:16][c:17]([S:22](=[O:23])(=[O:24])[N:25]([c:26]2[cH:27][c:28]3[c:32]([cH:33][cH:34]2)[NH:31][CH2:30][CH2:29]3)[CH2:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:18][c:19]([Cl:21])[cH:20]1.[Cl:1][C:2]([Cl:3])=[O:4].[Cl:56][CH2:57][Cl:58].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[C:2](=[O:4])([N:31]1[CH2:30][CH2:29][c:28]2[cH:27][c:26]([N:25]([S:22]([c:17]3[cH:16][c:15]([Cl:14])[cH:20][c:19]([Cl:21])[cH:18]3)(=[O:23])=[O:24])[CH2:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:34][cH:33][c:32]21)[NH:47][CH2:46][CH2:45][N:44]([CH3:43])[CH3:48]Participants
9
Sources & evidence
- ORD record
- ord-2a45cebbf3954f1cbb686c97eab95947
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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