Ethanol → HCID 21106878, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]([CH:42]2[CH2:43][CH2:44]2)[c:9]2[c:10]([CH3:41])[c:11]([N:18]3[CH2:19][CH:20]([C:23]4([N:26]([CH3:27])[CH:28]5[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]5)[CH2:24][CH2:25]4)[CH2:21][CH2:22]3)[c:12]([F:17])[cH:13][n:14]2[c:15]1=[O:16].[CH3:47][CH2:48][OH:49].[Li+:46].[OH-:45].[OH2:50]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][c:8]([CH:42]2[CH2:43][CH2:44]2)[c:9]2[c:10]([CH3:41])[c:11]([N:18]3[CH2:19][CH:20]([C:23]4([N:26]([CH3:27])[CH:28]5[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]5)[CH2:24][CH2:25]4)[CH2:21][CH2:22]3)[c:12]([F:17])[cH:13][n:14]2[c:15]1=[O:16]Participants
6
Sources & evidence
- ORD record
- ord-ee67105671784d04b658fd7118123f30
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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