Toluene → HCID 86618219, compound
Reaction equation
[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:12][O:13][c:14]1[cH:15][c:16]([CH:17]=[O:18])[cH:19][cH:20][cH:21]1.[CH3:22][O:23][c:24]1[cH:25][c:26]([CH:27]=[N:28][c:29]2[c:30]3[c:31]([cH:32][cH:33][cH:34][cH:35]3)[cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[F:42][C:43]([CH:44]1[CH2:45][O:46]1)([F:47])[F:48].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]([CH:17]([c:16]3[cH:15][c:14]([O:13][CH3:12])[cH:21][cH:20][cH:19]3)[C:44]3([C:43]([F:42])([F:47])[F:48])[CH2:45][O:46]3)[cH:8][cH:9][cH:10][c:11]12Participants
7
Sources & evidence
- ORD record
- ord-5f1a1ca8b444437aab541251d616af59
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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