Benzene → HCID 20780127, compound
Reaction equation
[CH2:13]([O:14][C:16](=[O:17])[c:18]1[c:19]([CH3:40])[n:20][c:21]2[n:22]1[c:23]1[cH:24][c:25]([F:39])[cH:26][cH:27][c:28]1[n:29]2-[c:30]1[c:31]([CH3:38])[cH:32][c:33]([CH3:37])[cH:34][c:35]1[CH3:36])[CH3:15].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH:5]1([CH2:8][NH:9][CH2:10][CH2:11][CH3:12])[CH2:6][CH2:7]1.[Na+:42].[OH-:41].[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH:5]1([CH2:8][N:9]([CH2:10][CH2:11][CH3:12])[C:16](=[O:17])[c:18]2[c:19]([CH3:40])[n:20][c:21]3[n:22]2[c:23]2[cH:24][c:25]([F:39])[cH:26][cH:27][c:28]2[n:29]3-[c:30]2[c:31]([CH3:38])[cH:32][c:33]([CH3:37])[cH:34][c:35]2[CH3:36])[CH2:6][CH2:7]1Participants
7
Sources & evidence
- ORD record
- ord-2b7338bf5c374a3880e79b1da2ca378b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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