Ethanol → HCID 178452897, compound
Reaction equation
[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[O:36][c:37]1[c:38]([N:48]([S:49](=[O:50])(=[O:51])[CH3:52])[C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[cH:39][c:40]([O:43][CH2:44][CH:45]2[CH2:46][O:47]2)[cH:41][cH:42]1.[CH3:60][CH2:61][OH:62].[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:6][c:7]1[cH:8][cH:9][c:10]([CH:13]2[CH2:14][CH2:15][CH:16]([NH:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:17][CH2:18]2)[cH:11][cH:12]1)([F:27])[F:28]>>[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:6][c:7]1[cH:8][cH:9][c:10]([CH:13]2[CH2:14][CH2:15][CH:16]([N:19]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:46][CH:45]([CH2:44][O:43][c:40]3[cH:39][c:38]([N:48]([S:49](=[O:50])(=[O:51])[CH3:52])[C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[c:37]([O:36][CH2:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:42][cH:41]3)[OH:47])[CH2:17][CH2:18]2)[cH:11][cH:12]1)([F:27])[F:28]Participants
4
Sources & evidence
- ORD record
- ord-34032bb9c4584d11a6d87ecf3ab1aa55
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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