Acetic Acid → HCID 59809564, compound
Reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][CH2:27][C:28](=[O:31])[CH2:29][CH2:30]1.[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH3:46][C:47](=[O:48])[OH:49].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:50][CH:51]([Cl:52])[CH3:53].[NH2:1][c:2]1[c:3]([O:10][c:11]2[c:12]([Br:17])[cH:13][cH:14][cH:15][cH:16]2)[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[Na+:45].[OH2:60]>>[NH:1]([c:2]1[c:3]([O:10][c:11]2[c:12]([Br:17])[cH:13][cH:14][cH:15][cH:16]2)[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1)[CH:28]1[CH2:27][CH2:26][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:30][CH2:29]1Participants
9
Sources & evidence
- ORD record
- ord-950afa06fe3145cb9471775a64e9e0a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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