Ethanol → HCID 66779060, compound
Reaction equation
[CH2:39]([OH:40])[CH3:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[CH3:48][CH2:49][OH:50].[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH2:13][O:14][CH3:15])[cH:16][c:17]([F:20])[cH:18][cH:19]3)[NH:21][c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[N:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH3:38])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:52].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH-:51]>>[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH2:13][O:14][CH3:15])[cH:16][c:17]([F:20])[cH:18][cH:19]3)[NH:21][c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[N:30]([CH2:31][CH2:32][C:33](=[O:34])[OH:35])[CH3:38])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
7
Sources & evidence
- ORD record
- ord-3b3543337c4e440b95a5cd0159b80a94
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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