Ethanol → HCID 178493215, compound
Reaction equation
[CH3:54][C:55]#[N:56].[CH3:62][CH2:63][OH:64].[CH3:65][OH:66].[CH:58]([OH:59])([CH3:60])[CH3:61].[Cl:35][O-:36].[F:1][CH:2]([O:3][c:4]1[cH:5][c:6]2[c:7]([nH:8][c:9]([S:11][CH2:12][c:13]3[n:14][cH:15][cH:16][c:17]([O:21][CH3:22])[c:18]3[O:19][CH3:20])[n:10]2)[cH:23][cH:24]1)[F:25].[Na+:37].[Na+:39].[Na+:47].[Na+:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:38].[OH2:57].[S:40](=[O:41])([S:42]([O-:43])=[O:44])([O-:45])=[O:46].[n:26]1[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[nH:33][cH:34]1>>[F:1][CH:2]([O:3][c:4]1[cH:5][c:6]2[c:7]([nH:8][c:9]([S:11]([CH2:12][c:13]3[n:14][cH:15][cH:16][c:17]([O:21][CH3:22])[c:18]3[O:19][CH3:20])=[O:41])[n:10]2)[cH:23][cH:24]1)[F:25]Participants
13
Reactant 12
Product 1
Sources & evidence
- ORD record
- ord-ca3e923343814f6c94c4f66da8626fc7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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