5,5-Dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamine → HCID 25157032, compound
Reaction equation
[C:15](#[N:16])[CH2:17][CH2:18][NH:19][C:20]([c:21]1[c:22]([NH:27][c:28]2[n:29][c:30]([Cl:35])[n:31][cH:32][c:33]2[Cl:34])[cH:23][cH:24][cH:25][cH:26]1)=[O:36].[CH3:1][C:2]1([CH3:14])[c:3]2[c:4]([c:9]([NH2:13])[cH:10][cH:11][cH:12]2)[O:5][CH2:6][CH2:7][CH2:8]1>>[CH3:1][C:2]1([CH3:14])[c:3]2[c:4]([c:9]([NH:13][c:30]3[n:29][c:28]([NH:27][c:22]4[c:21]([C:20]([NH:19][CH2:18][CH2:17][C:15]#[N:16])=[O:36])[cH:26][cH:25][cH:24][cH:23]4)[c:33]([Cl:34])[cH:32][n:31]3)[cH:10][cH:11][cH:12]2)[O:5][CH2:6][CH2:7][CH2:8]1Participants
3
Sources & evidence
- ORD record
- ord-12b124a76dc14a4185df833630e6f0a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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