Acetate → HCID 86623811, compound
Reaction equation
[C:24]([O-:25])(=[O:26])[CH3:27].[CH3:1][c:2]1[c:3]([CH2:8][N:9]([CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[CH2:16][c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[CH3:23])[n:4][cH:5][cH:6][cH:7]1.[CH3:33][OH:34].[N:29]#[C:30][Br:31].[Na+:28].[OH2:32]>>[CH3:1][c:2]1[c:3]([CH2:8][N:9]([CH:10]2[CH2:11][CH2:12][N:13]([C:30]#[N:29])[CH2:14][CH2:15]2)[CH2:16][c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[CH3:23])[n:4][cH:5][cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-b46e7512dd0b4596ab5eff0c5bca85c4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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