Ethanol → HCID 68957047, compound
Reaction equation
[Br:8][c:9]1[cH:10][c:11]([N+:22](=[O:23])[O-:24])[c:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]1.[C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])([O:31][c:32]1[cH:33][c:34]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:35][cH:36][cH:37]1)=[O:47].[C:48](=[O:49])([O-:50])[OH:51].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:60][CH2:61][OH:62].[Na+:52].[OH2:53]>>[c:9]1(-[c:34]2[cH:33][c:32]([O:31][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:47])[cH:37][cH:36][cH:35]2)[cH:10][c:11]([N+:22](=[O:23])[O-:24])[c:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]1Participants
9
Sources & evidence
- ORD record
- ord-7587be692ba9463dbd086883edffa016
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…