Ethanol → HCID 178424591, compound
Reaction equation
[CH3:49][CH2:50][OH:51].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:29][c:30]3[cH:31][c:32]([CH3:37])[c:33]([CH3:36])[cH:34][cH:35]3)[CH2:10][N:11]([CH2:14][C:15]#[C:16][CH2:17][N:18]3[CH:19]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:20][O:21][CH2:22][CH2:23]3)[CH2:12][CH2:13]2)[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46].[Na+:48].[OH-:47]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:29][c:30]3[cH:31][c:32]([CH3:37])[c:33]([CH3:36])[cH:34][cH:35]3)[CH2:10][N:11]([CH2:14][C:15]#[C:16][CH2:17][N:18]3[CH:19]([C:24](=[O:25])[OH:26])[CH2:20][O:21][CH2:22][CH2:23]3)[CH2:12][CH2:13]2)[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46]Participants
5
Sources & evidence
- ORD record
- ord-87728ea940174dc4855eeabdbd8782b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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