Benzaldehyde → 3-[[6,6-dimethylhept-2-en-4-ynyl(ethyl)amino]methyl]-N-[(3-thiophen-3-ylphenyl)methyl]aniline
Reaction equation
[CH3:1][C:2]([C:3]#[C:4][CH:5]=[CH:6][CH2:7][N:8]([CH2:9][CH3:10])[CH2:11][c:12]1[cH:13][c:14]([NH2:18])[cH:15][cH:16][cH:17]1)([CH3:19])[CH3:20].[CH:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)=[O:50].[NH2:34][c:35]1[cH:36][c:37]([CH2:41][NH2:42])[cH:38][cH:39][cH:40]1.[s:21]1[cH:22][c:23](-[c:26]2[cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32][cH:33]2)[cH:24][cH:25]1>>[CH3:1][C:2]([C:3]#[C:4][CH:5]=[CH:6][CH2:7][N:8]([CH2:9][CH3:10])[CH2:11][c:12]1[cH:13][c:14]([NH:18][CH2:29][c:28]2[cH:27][c:26](-[c:23]3[cH:22][s:21][cH:25][cH:24]3)[cH:33][cH:32][cH:31]2)[cH:15][cH:16][cH:17]1)([CH3:19])[CH3:20]Participants
5
Sources & evidence
- ORD record
- ord-20aa6026e9dc4c9d8f3812fbf5c2c51f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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