4-Aminobenzonitrile → HCID 18766375, compound
Reaction equation
[CH3:10][Al:11]([CH3:12])[CH3:13].[F:14][c:15]1[c:16]([C:22]([CH:23]([CH3:24])[S:25][CH:26]2[CH2:27][O:28][CH:29]([c:32]3[cH:33][c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40][cH:41]3)[O:30][CH2:31]2)([CH2:42][n:43]2[n:44][cH:45][n:46][cH:47]2)[OH:48])[cH:17][cH:18][c:19]([F:21])[cH:20]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1)[C:35]([c:34]1[cH:33][c:32]([CH:29]2[O:28][CH2:27][CH:26]([S:25][CH:23]([C:22]([c:16]3[c:15]([F:14])[cH:20][c:19]([F:21])[cH:18][cH:17]3)([CH2:42][n:43]3[n:44][cH:45][n:46][cH:47]3)[OH:48])[CH3:24])[CH2:31][O:30]2)[cH:41][cH:40][cH:39]1)=[O:36]Participants
4
Sources & evidence
- ORD record
- ord-c91740a3eab748cba68175ac78399d68
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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