Ethanol → HCID 12818631, compound
Reaction equation
[CH2:18]1[CH2:19][CH2:20][NH:21][CH2:22]1.[CH3:29][CH2:30][OH:31].[Cl:1][c:2]1[c:3]([C:16]#[N:17])[c:4](=[O:15])[n:5]([CH2:13][CH3:14])[c:6]2[n:7][c:8]([CH3:12])[cH:9][cH:10][c:11]12.[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28]>>[c:2]1([N:21]2[CH2:20][CH2:19][CH2:18][CH2:22]2)[c:3]([C:16]#[N:17])[c:4](=[O:15])[n:5]([CH2:13][CH3:14])[c:6]2[n:7][c:8]([CH3:12])[cH:9][cH:10][c:11]12Participants
6
Sources & evidence
- ORD record
- ord-cf535dadf26a4e06b1f076a7a7183232
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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