Toluene → HCID 54047320, compound
Reaction equation
[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])(=[O:19])[NH:20][c:21]1[c:22]([OH:27])[cH:23][cH:24][cH:25][cH:26]1.[CH3:28][C:29]1([CH3:45])[O:30][CH2:31][C:32]([CH3:43])([CH3:44])[CH:33]([C:35](=[O:36])[NH:37][CH2:38][CH2:39][C:40](=[O:41])[OH:42])[O:34]1.[CH3:61][N:62]([CH3:63])[c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1.[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH:46]1([N:47]=[C:48]=[N:49][CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])(=[O:19])[NH:20][c:21]1[c:22]([O:27][C:40]([CH2:39][CH2:38][NH:37][C:35]([CH:33]2[C:32]([CH3:43])([CH3:44])[CH2:31][O:30][C:29]([CH3:28])([CH3:45])[O:34]2)=[O:36])=[O:41])[cH:23][cH:24][cH:25][cH:26]1Participants
6
Sources & evidence
- ORD record
- ord-cde6b2e339624caaae075368b287fee3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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