Benzonitrile, 3-(bromomethyl)- → HCID 44590535, compound
Reaction equation
[Br:24][CH2:25][c:26]1[cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32][cH:33]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][o:11][c:12]3[c:13]2[cH:14][c:15](-[c:18]2[n:19][n:20][c:21]([SH:23])[o:22]2)[cH:16][cH:17]3)[cH:7][cH:8]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][o:11][c:12]3[c:13]2[cH:14][c:15](-[c:18]2[n:19][n:20][c:21]([S:23][CH2:25][c:26]4[cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32][cH:33]4)[o:22]2)[cH:16][cH:17]3)[cH:7][cH:8]1Participants
3
Sources & evidence
- ORD record
- ord-f9601ee68ff54bcc8d4b2151c49599ce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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