Ethanol → HCID 57753033, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:29])[c:5](-[c:9]2[c:10]([CH3:28])[s:11][c:12]3[c:13]2[n:14][c:15]([CH3:27])[n:16][c:17]3[N:18]2[CH2:19][CH2:20][CH:21]([CH2:24][C:25]#[N:26])[CH2:22][CH2:23]2)[c:6]([CH3:8])[cH:7]1.[CH3:38][CH2:39][OH:40].[K+:31].[K+:37].[OH-:30].[OH2:41].[S:32]([O-:33])(=[O:34])(=[O:35])[OH:36]>>[Br:1][c:2]1[cH:3][c:4]([CH3:29])[c:5](-[c:9]2[c:10]([CH3:28])[s:11][c:12]3[c:13]2[n:14][c:15]([CH3:27])[n:16][c:17]3[N:18]2[CH2:19][CH2:20][CH:21]([CH2:24][C:25](=[O:30])[OH:33])[CH2:22][CH2:23]2)[c:6]([CH3:8])[cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-57998e48af974ef1b4a00de1efdfd14e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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