Toluene → HCID 178492346, compound
Reaction equation
[CH2:46]([Cl:47])[Cl:48].[CH2:8]([Al:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[CH2:14][CH:15]([CH3:16])[CH3:17])[CH:18]([CH3:19])[CH3:20].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([NH2:29])[cH:27][cH:28]1.[OH:30][c:31]1[c:32]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[cH:33][n:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12>>[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([NH:29][C:41]([c:32]2[c:31]([OH:30])[c:40]3[c:35]([n:34][cH:33]2)[cH:36][cH:37][cH:38][cH:39]3)=[O:42])[cH:27][cH:28]1Participants
6
Sources & evidence
- ORD record
- ord-17e05798662c4b7a9ce599990996a4df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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