Toluene → HCID 86597661, compound
Reaction equation
[C:34]([CH3:35])([CH3:36])([CH3:37])[N:38]=[C:39]=[O:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[NH2:1][c:2]1[s:3][c:4]([CH2:14][CH2:15][C:16](=[O:17])[NH:18][c:19]2[cH:20][cH:21][c:22]([CH2:25][P:26](=[O:27])([O:28][CH2:29][CH3:30])[O:31][CH2:32][CH3:33])[cH:23][cH:24]2)[c:5](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[n:6]1>>[NH:1]([c:2]1[s:3][c:4]([CH2:14][CH2:15][C:16](=[O:17])[NH:18][c:19]2[cH:20][cH:21][c:22]([CH2:25][P:26](=[O:27])([O:28][CH2:29][CH3:30])[O:31][CH2:32][CH3:33])[cH:23][cH:24]2)[c:5](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[n:6]1)[C:39]([NH:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:40]Participants
4
Sources & evidence
- ORD record
- ord-a83a4f945e06480bb1a073bbb1b3ee87
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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