Ethanol → HCID 178496311, compound
Reaction equation
[CH2:45]([OH:46])[CH3:47].[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][O:13][CH3:14])[CH:6]([c:15]2[cH:16][c:17]([NH:21][OH:22])[cH:18][cH:19][cH:20]2)[C:5]([C:23](=[O:24])[O:25][CH:26]([CH3:27])[CH3:28])=[C:4]([CH3:29])[NH:3]1.[CH3:30][n:31]1[c:32]([CH:36]=[O:37])[cH:33][cH:34][cH:35]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl:55][CH2:56][Cl:57].[Na+:38].[Na+:39].[O-:40][S:41]([O-:42])(=[O:43])=[O:44]>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][O:13][CH3:14])[CH:6]([c:15]2[cH:16][c:17]([N+:21]([O-:22])=[CH:36][c:32]3[n:31]([CH3:30])[cH:35][cH:34][cH:33]3)[cH:18][cH:19][cH:20]2)[C:5]([C:23](=[O:24])[O:25][CH:26]([CH3:27])[CH3:28])=[C:4]([CH3:29])[NH:3]1Participants
8
Sources & evidence
- ORD record
- ord-873032dca37242a0b70066dd8f50b4cc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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