Acetate → HCID 57460391, compound
Reaction equation
[C:56]([O-:57])(=[O:58])[CH3:59].[C:61]([O-:62])(=[O:63])[CH3:64].[CH3:1][c:2]1[nH:3][c:4](=[O:26])[c:5]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:6]([CH2:8][CH2:9][CH3:10])[n:7]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:65][CH2:66][Cl:67].[Cu+2:60].[OH:27][B:28]([OH:29])[c:30]1[cH:31][cH:32][c:33]([F:34])[cH:35][cH:36]1.[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[CH3:1][c:2]1[n:3](-[c:30]2[cH:31][cH:32][c:33]([F:34])[cH:35][cH:36]2)[c:4](=[O:26])[c:5]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:6]([CH2:8][CH2:9][CH3:10])[n:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-67ad83e461f54df1980448dc7b29e862
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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