Ethanol → HCID 68532035, compound
Reaction equation
[CH2:1]([O:2][C:3](=[O:4])[O:11][C:12]1([CH2:47][CH3:48])[C:13](=[O:46])[O:14][CH2:15][c:16]2[c:17]1[cH:18][c:19]1[n:27]([c:28]2=[O:29])[CH2:26][c:25]2[c:20]-1[n:21][c:22]1[c:23]([c:24]2[CH2:30][CH2:31][Si:32]([CH2:33][CH2:34][CH2:35][O:36][C:37]([CH3:38])=[O:39])([CH3:40])[CH3:41])[cH:42][cH:43][cH:44][cH:45]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:51][CH2:52][OH:53].[H:49][H:50]>>[OH:11][C:12]1([CH2:47][CH3:48])[C:13](=[O:46])[O:14][CH2:15][c:16]2[c:17]1[cH:18][c:19]1[n:27]([c:28]2=[O:29])[CH2:26][c:25]2[c:20]-1[n:21][c:22]1[c:23]([c:24]2[CH2:30][CH2:31][Si:32]([CH2:33][CH2:34][CH2:35][O:36][C:37]([CH3:38])=[O:39])([CH3:40])[CH3:41])[cH:42][cH:43][cH:44][cH:45]1Participants
4
Sources & evidence
- ORD record
- ord-f85ccf9c826a46c3b3b15bf53450018c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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