Sodium ion → 2-(5-Hydroxypentyl)-2-(3,3,3-trifluoropropyl)malononitrile
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14]([C:15]#[N:16])([C:17]#[N:18])[CH2:19][CH2:20][C:21]([F:22])([F:23])[F:24].[CH2:27]([O:28][CH2:29][CH3:30])[CH3:31].[CH3:37][C:38]#[N:39].[F:32][B:33]([F:34])[F:35].[I-:26].[Na+:25].[OH2:36]>>[OH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14]([C:15]#[N:16])([C:17]#[N:18])[CH2:19][CH2:20][C:21]([F:22])([F:23])[F:24]Participants
8
Sources & evidence
- ORD record
- ord-1f890b12d30d4002bf1b67fdbb161a36
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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