Toluene → HCID 76839577, compound
Reaction equation
[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[N:41]12[CH2:42][CH2:43][CH2:44][N:45]=[C:46]1[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2.[NH2:1][CH:2]1[CH:3]=[CH:4][C:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2)([CH:26]([CH3:27])[CH3:28])[CH2:6]1.[O:29]=[C:30]([C:31]([O:32][CH2:33][CH3:34])=[O:35])[C:36]([O:37][CH2:38][CH3:39])=[O:40]>>[C:2]1(=[O:29])[CH:3]=[CH:4][C:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2)([CH:26]([CH3:27])[CH3:28])[CH2:6]1Participants
5
Sources & evidence
- ORD record
- ord-1c2584806f1c4f81934f84736ad20335
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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