Ethanol → HCID 59591074, compound
Reaction equation
[CH3:45][CH2:46][OH:47].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[c:18]([CH3:42])[c:19]4[c:24]([cH:25][cH:26]3)[CH:23]([CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[N:22]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:21][CH2:20]4)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[Na+:44].[OH-:43]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[c:18]([CH3:42])[c:19]4[c:24]([cH:25][cH:26]3)[CH:23]([CH2:27][CH2:28][CH2:29][C:30](=[O:31])[OH:32])[N:22]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:21][CH2:20]4)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]Participants
5
Sources & evidence
- ORD record
- ord-a4022678e5eb4a81ae71101d5d543703
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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