Ethanol → HCID 178457762, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]1[C:9](=[O:41])[CH:10]([NH:19][C:20](=[O:21])[C:22]2([CH2:27][CH:28]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH2:34][C:35](=[O:36])[NH:37][CH:38]([CH3:39])[CH3:40])[CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:11][CH2:12][c:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18]2)=[O:42].[CH3:51][CH2:52][OH:53].[K+:50].[Na+:44].[OH-:43].[OH2:54].[S:45](=[O:46])(=[O:47])([OH:48])[O-:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]1[C:9](=[O:41])[CH:10]([NH:19][C:20](=[O:21])[C:22]2([CH2:27][CH:28]([C:29](=[O:30])[OH:31])[CH2:34][C:35](=[O:36])[NH:37][CH:38]([CH3:39])[CH3:40])[CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:11][CH2:12][c:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18]2)=[O:42]Participants
8
Sources & evidence
- ORD record
- ord-2ae6864bcf8f483ebc1d2a569af13b43
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…