Ethanol → HCID 178488528, compound
Reaction equation
[CH3:31][O:32][c:33]1[cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39][c:40]1-[n:41]1[cH:42][n:43][c:44]([CH3:46])[cH:45]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH:12]2[N:13]3[C:14](=[O:30])[CH:15]([P:22](=[O:23])([O:24][CH2:25][CH3:26])[O:27][CH2:28][CH3:29])[CH2:16][CH2:17][CH:18]3[CH2:19][CH2:20][CH2:21]2)[cH:10][cH:11]1.[CH3:58][CH2:59][OH:60].[Li+:3].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH-:2].[OH2:1]>>[CH3:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH:12]2[N:13]3[C:14](=[O:30])[C:15](=[CH:36][c:35]4[cH:34][c:33]([O:32][CH3:31])[c:40](-[n:41]5[cH:42][n:43][c:44]([CH3:46])[cH:45]5)[cH:39][cH:38]4)[CH2:16][CH2:17][CH:18]3[CH2:19][CH2:20][CH2:21]2)[cH:10][cH:11]1Participants
9
Sources & evidence
- ORD record
- ord-a740baae16624396a432ecb0144eb78b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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