4-(Bromomethyl)benzonitrile → HCID 67049850, compound
Reaction equation
[Br:27][CH2:28][c:29]1[cH:30][cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]3)[c:6]([OH:8])[cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]3)[c:6]([O:8][CH2:28][c:29]2[cH:30][cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36]2)[cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-652190569db04b62b1c1cea5aba6d87c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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