Toluene → HCID 178422737, compound
Reaction equation
[CH3:39][Al:40]([CH3:41])[CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:28]1([c:31]2[cH:32][cH:33][c:34]([F:38])[c:35]([NH2:36])[cH:37]2)[CH2:29][CH2:30]1.[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:27])[c:7]1[NH:8][c:9]1[nH:10][c:11]2[c:12]([n:13]1)[cH:14][c:15]([C:23](=[O:24])[O:25][CH3:26])[c:16]1[c:17]2[CH2:18][C:19]([CH3:21])([CH3:22])[O:20]1>>[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:27])[c:7]1[NH:8][c:9]1[nH:10][c:11]2[c:12]([n:13]1)[cH:14][c:15]([C:23](=[O:24])[NH:36][c:35]1[c:34]([F:38])[cH:33][cH:32][c:31]([CH:28]3[CH2:29][CH2:30]3)[cH:37]1)[c:16]1[c:17]2[CH2:18][C:19]([CH3:21])([CH3:22])[O:20]1Participants
5
Sources & evidence
- ORD record
- ord-a89b3a5c06c94253946d88df170473c2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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