Ethanol → HCID 22638724, compound
Reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][OH:47].[CH:1]12[CH2:2][CH2:3][CH2:4][CH:5]([BH:6]1)[CH2:7][CH2:8][CH2:9]2.[Na+:37].[OH-:36].[OH:38][OH:39].[c:10]1([CH3:35])[cH:11][cH:12][c:13]([S:16](=[O:17])(=[O:18])[n:19]2[cH:20][c:21]([CH:30]3[CH:31]([CH:33]=[CH2:34])[CH2:32]3)[c:22]3[cH:23][c:24]([C:28]#[N:29])[cH:25][cH:26][c:27]23)[cH:14][cH:15]1>>[c:10]1([CH3:35])[cH:11][cH:12][c:13]([S:16](=[O:17])(=[O:18])[n:19]2[cH:20][c:21]([CH:30]3[CH:31]([CH2:33][CH2:34][OH:36])[CH2:32]3)[c:22]3[cH:23][c:24]([C:28]#[N:29])[cH:25][cH:26][c:27]23)[cH:14][cH:15]1Participants
8
Sources & evidence
- ORD record
- ord-a6f0be52c6544c43a85d008fde597627
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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