Acetate → HCID 57460629, compound

HRID 2162487Notes

Reaction equation

HRID 2162487 reaction equation
[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH2:52]([Cl:53])[Cl:54].[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.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cu+2:65].[O:27]1[CH2:28][CH2:29][c:30]2[c:31]1[cH:32][cH:33][c:34]([B:36]([OH:37])[OH:38])[cH:35]2.[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH3:1][c:2]1[n:3](-[c:34]2[cH:33][cH:32][c:31]3[c:30]([cH:35]2)[CH2:29][CH2:28][O:27]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

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 2773380(2,3-Dihydro-1-benzofuran-5-yl)boronic acidHCID 1354272734'-[(2-Methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl)methyl]biphenyl-2-carbonitrile

Product 1

HCID 57460629HCID 57460629, compound

Sources & evidence

ORD record
ord-5fae11ae0467419882d6daad1f59ef16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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