Toluene → HCID 58999039, compound
Reaction equation
[CH3:12][O:13][C:14](=[O:15])[c:16]1[c:17]([CH3:43])[n:18]([CH2:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:19](-[c:22]2[cH:23][c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]2)[c:20]1[CH3:21].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:8][Al:9]([CH3:10])[CH3:11].[NH2:1][CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1)[C:14](=[O:13])[c:16]1[c:17]([CH3:43])[n:18]([CH2:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:19](-[c:22]2[cH:23][c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]2)[c:20]1[CH3:21]Participants
5
Sources & evidence
- ORD record
- ord-26dadcfe5c0d4d36abda4e5d0603fe4a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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