Ethanol → HCID 178497465, compound
Reaction equation
[C:4](=[O:5])([O:6][CH3:7])[c:8]1[cH:9][cH:10][c:11]([CH:14]2[N:15]3[C:16](=[O:32])[CH:17]([P:24](=[O:25])([O:26][CH2:27][CH3:28])[O:29][CH2:30][CH3:31])[CH2:18][CH2:19][CH:20]3[CH2:21][CH2:22][CH2:23]2)[cH:12][cH:13]1.[CH3:33][O:34][c:35]1[cH:36][c:37]([CH:38]=[O:39])[cH:40][cH:41][c:42]1-[n:43]1[cH:44][n:45][c:46]([CH3:48])[cH:47]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:60][CH2:61][OH:62].[Li+:3].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH-:2].[OH2:1]>>[C:4](=[O:5])([O:6][CH3:7])[c:8]1[cH:9][cH:10][c:11]([CH:14]2[N:15]3[C:16](=[O:32])[C:17](=[CH:38][c:37]4[cH:36][c:35]([O:34][CH3:33])[c:42](-[n:43]5[cH:44][n:45][c:46]([CH3:48])[cH:47]5)[cH:41][cH:40]4)[CH2:18][CH2:19][CH:20]3[CH2:21][CH2:22][CH2:23]2)[cH:12][cH:13]1Participants
9
Sources & evidence
- ORD record
- ord-ee6b240b272641959bb65f1732c970ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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