Ethanol → HCID 57719025, compound
Reaction equation
[Br:30][C:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])([CH3:37])[CH3:38].[CH3:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7](=[O:25])[n:8]([CH2:22][CH2:23][CH3:24])[c:9]([CH2:12][CH2:13][CH2:14][c:15]3[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]3)[c:10]2[CH3:11])[cH:26][cH:27][c:28]1[CH3:29].[CH3:51][CH2:52][OH:53].[K+:45].[K+:46].[Mg+2:39].[O-:40][S:41]([O-:42])(=[O:43])=[O:44].[O-:47][C:48]([O-:49])=[O:50]>>[CH3:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7](=[O:25])[n:8]([CH2:22][CH2:23][CH3:24])[c:9]([CH2:12][CH2:13][CH2:14][c:15]3[cH:16][cH:17][c:18]([O:21][C:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])([CH3:37])[CH3:38])[cH:19][cH:20]3)[c:10]2[CH3:11])[cH:26][cH:27][c:28]1[CH3:29]Participants
8
Sources & evidence
- ORD record
- ord-f99ec8739bd74547a0d0d0bba201aab0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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