Toluene → HCID 49782487, compound
Reaction equation
[CH3:1][CH:2]([CH3:3])[NH2:4].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:5][Al:6]([CH3:7])[CH3:8].[CH3:9][c:10]1[c:11]([CH2:21][CH2:22][c:23]2[s:24][c:25]([C:28](=[O:29])[OH:30])[cH:26][n:27]2)[c:12](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[n:13][o:14]1.[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1>>[CH3:1][CH:2]([CH3:3])[NH:4][C:28]([c:25]1[s:24][c:23]([CH2:22][CH2:21][c:11]2[c:10]([CH3:9])[o:14][n:13][c:12]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[n:27][cH:26]1)=[O:29]Participants
6
Sources & evidence
- ORD record
- ord-5d8ba219786c4bb393ff402b5d5cbea1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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