Ethanol → HCID 46833786, compound
Reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:28][c:29]1[c:30]([B:34]([OH:35])[OH:36])[cH:31][s:32][cH:33]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][CH2:51][OH:52].[I:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[n:7](-[c:11]3[n:12][c:13]([NH:17][CH:18]4[CH2:19][CH2:20][N:21]([S:24](=[O:25])(=[O:26])[CH3:27])[CH2:22][CH2:23]4)[n:14][cH:15][cH:16]3)[n:8][n:9][c:10]12.[Na+:41].[Na+:42]>>[c:2]1(-[c:30]2[c:29]([CH3:28])[cH:33][s:32][cH:31]2)[cH:3][cH:4][cH:5][c:6]2[n:7](-[c:11]3[n:12][c:13]([NH:17][CH:18]4[CH2:19][CH2:20][N:21]([S:24](=[O:25])(=[O:26])[CH3:27])[CH2:22][CH2:23]4)[n:14][cH:15][cH:16]3)[n:8][n:9][c:10]12Participants
7
Sources & evidence
- ORD record
- ord-cfc4506bae86459a87d0671c056d3722
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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