Ethanol → HCID 178447042, compound
Reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]([CH3:7])[CH3:8])[O:9][CH2:10][CH:11]1[N:12]([S:36](=[O:37])(=[O:38])[CH3:39])[CH2:13][CH:14]([S:16][C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:15]1)=[O:40].[CH3:41][CH2:42][OH:43]>>[O:2]=[C:3]([CH:4]([CH2:5][CH:6]([CH3:7])[CH3:8])[O:9][CH2:10][CH:11]1[N:12]([S:36](=[O:37])(=[O:38])[CH3:39])[CH2:13][CH:14]([S:16][C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:15]1)[OH:40]Participants
4
Sources & evidence
- ORD record
- ord-13cc164a5aaa447cb041c8bfd083b388
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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