Ethanol → HCID 54313498, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:23][c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)[c:7]([CH:10]=[C:11]([C:12](=[O:13])[O:14][CH3:15])[CH2:16][c:17]2[cH:18][cH:19][n:20][cH:21][cH:22]2)[cH:8][n:9]1.[CH3:33][CH2:34][OH:35].[Na+:32].[OH-:31]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:23][c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)[c:7]([CH:10]=[C:11]([C:12](=[O:13])[OH:14])[CH2:16][c:17]2[cH:18][cH:19][n:20][cH:21][cH:22]2)[cH:8][n:9]1Participants
5
Sources & evidence
- ORD record
- ord-91b4abbfe7844cd0a4459a3ce695a93e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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