Ethanol → HCID 59591076, compound
Reaction equation
[CH3:45][CH2:46][OH:47].[Cl:3][c:4]1[cH:5][c:6](-[c:14]2[n:15][c:16](-[c:19]3[c:20]([CH3:44])[c:21]4[c:26]([cH:27][cH:28]3)[CH:25]([CH2:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[N:24]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:23][CH2:22]4)[n:17][o:18]2)[cH:7][n:8][c:9]1[O:10][CH:11]([CH3:12])[CH3:13].[Na+:2].[OH-:1]>>[Cl:3][c:4]1[cH:5][c:6](-[c:14]2[n:15][c:16](-[c:19]3[c:20]([CH3:44])[c:21]4[c:26]([cH:27][cH:28]3)[CH:25]([CH2:29][CH2:30][CH2:31][C:32](=[O:33])[OH:34])[N:24]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:23][CH2:22]4)[n:17][o:18]2)[cH:7][n:8][c:9]1[O:10][CH:11]([CH3:12])[CH3:13]Participants
5
Sources & evidence
- ORD record
- ord-4f059057097a4173b102433e16bf7508
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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