Acetate → HCID 178481024, compound
Reaction equation
[CH3:15][N:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[CH3:23][C:24](=[O:25])[O-:26].[CH3:27][C:28]#[N:29].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([C:9]([Cl:10])([Cl:11])[Cl:12])[n:8]2)[cH:13][cH:14]1.[NH4+:22].[Na+:34].[O-:30][C:31]([OH:32])=[O:33]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([C:9]([N:19]3[CH2:18][CH2:17][N:16]([CH3:15])[CH2:21][CH2:20]3)=[NH:22])[n:8]2)[cH:13][cH:14]1Participants
8
Sources & evidence
- ORD record
- ord-3aedaa20d38f415cbadbc946dd8606d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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