Ethanol → HCID 22956155, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][n:9][c:10](-[c:13]2[cH:14][c:15]([N+:19]([O-:20])=[O:21])[cH:16][cH:17][cH:18]2)[cH:11][cH:12]1)[NH:22][C:23](=[O:24])[C:25]1([NH:30][C:31]([CH:32]([CH:33]([CH3:34])[CH3:35])[S:36][C:37]([CH3:38])=[O:39])=[O:40])[CH2:26][CH2:27][CH2:28][CH2:29]1)=[O:41].[CH3:42][CH2:43][OH:44]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][n:9][c:10](-[c:13]2[cH:14][c:15]([NH2:19])[cH:16][cH:17][cH:18]2)[cH:11][cH:12]1)[NH:22][C:23](=[O:24])[C:25]1([NH:30][C:31]([CH:32]([CH:33]([CH3:34])[CH3:35])[S:36][C:37]([CH3:38])=[O:39])=[O:40])[CH2:26][CH2:27][CH2:28][CH2:29]1)=[O:41]Participants
3
Sources & evidence
- ORD record
- ord-57f15dc4c10d40a9820c4e6d5a158f88
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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