Ethanol → HCID 66657709, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7](-[c:32]2[cH:33][cH:34][c:35]([O:38][CH:39]([CH3:40])[CH3:41])[cH:36][cH:37]2)[c:8]2[cH:9][cH:10][c:11](-[c:22]3[n:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[cH:12][c:13]2[c:14]1[CH:15]=[CH:16][C:17](=[O:18])[O:19][CH2:20][CH3:21].[CH2:42]1[CH2:43][CH:44]=[CH:45][CH2:46][CH2:47]1.[CH3:48][CH2:49][OH:50]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7](-[c:32]2[cH:33][cH:34][c:35]([O:38][CH:39]([CH3:40])[CH3:41])[cH:36][cH:37]2)[c:8]2[cH:9][cH:10][c:11](-[c:22]3[n:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[cH:12][c:13]2[c:14]1[CH2:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21]Participants
4
Sources & evidence
- ORD record
- ord-a507caad9607455fbd42b4962d4d0233
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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