4-(Bromomethyl)-3-fluorobenzonitrile → HCID 67049978, compound
Reaction equation
[Br:28][CH2:29][c:30]1[c:31]([F:38])[cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37]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][CH2:15][CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:22][c:23]([F:27])[c:24]([F:26])[cH:25]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][CH2:15][CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:22][c:23]([F:27])[c:24]([F:26])[cH:25]3)[c:6]([O:8][CH2:29][c:30]2[c:31]([F:38])[cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37]2)[cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-d3646e084732466e96b6e1985b2a53a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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