1-Ethynyl-4-methoxybenzene → 3-[7-(4-Methoxy-phenylethynyl)-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl]-benzonitrile
Reaction equation
[CH3:22][O:23][c:24]1[cH:25][cH:26][c:27]([C:30]#[CH:31])[cH:28][cH:29]1.[I:1][c:2]1[cH:3][c:4]2[c:5]([cH:20][cH:21]1)[N:6]=[C:7]([c:12]1[cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18][cH:19]1)[CH2:8][C:9](=[O:11])[NH:10]2>>[c:2]1([C:31]#[C:30][c:27]2[cH:26][cH:25][c:24]([O:23][CH3:22])[cH:29][cH:28]2)[cH:3][c:4]2[c:5]([cH:20][cH:21]1)[N:6]=[C:7]([c:12]1[cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18][cH:19]1)[CH2:8][C:9](=[O:11])[NH:10]2Participants
3
Sources & evidence
- ORD record
- ord-411a9dc181734963b8e83f92f62761ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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