Ethanol → HCID 54209902, compound
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([C:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])=[N:32][O:33][CH2:34][CH2:35][S:36][CH2:37][C:38]#[N:39])[n:25]1.[CH3:47][CH2:48][OH:49].[Na+:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH-:40]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([C:26]([C:27](=[O:28])[OH:29])=[N:32][O:33][CH2:34][CH2:35][S:36][CH2:37][C:38]#[N:39])[n:25]1Participants
7
Sources & evidence
- ORD record
- ord-32f7338f3d13482b8d93716af1145212
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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