Ethanol → HCID 21517680, compound
Reaction equation
[CH2:18]1[CH2:19][NH:20][CH2:21][CH2:22][NH:23]1.[CH3:25][CH2:26][OH:27].[Cl:1][c:2]1[n:3][c:4]([N:12]2[CH2:13][CH2:14][S:15][CH2:16][CH2:17]2)[n:5][c:6]([O:10][CH3:11])[c:7]1[C:8]#[N:9].[OH2:24]>>[c:2]1([N:20]2[CH2:19][CH2:18][NH:23][CH2:22][CH2:21]2)[n:3][c:4]([N:12]2[CH2:13][CH2:14][S:15][CH2:16][CH2:17]2)[n:5][c:6]([O:10][CH3:11])[c:7]1[C:8]#[N:9]Participants
5
Sources & evidence
- ORD record
- ord-949a91bac3de464a8378eaf01423a50f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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