Acetate → HCID 67008997, compound

HRID 1544741Notes

Reaction equation

HRID 1544741 reaction equation
[C:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH3:29][O:30][c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl:53][CH2:54][Cl:55].[Cu+2:66].[O:1]=[c:2]1[nH:3][c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[O:1]=[c:2]1[n:3](-[c:34]2[cH:33][cH:32][c:31]([O:30][CH3:29])[cH:36][cH:35]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 201262(4-Methoxyphenyl)boronic acidHCID 1357150294'-[(5-Oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile

Product 1

HCID 67008997HCID 67008997, compound

Sources & evidence

ORD record
ord-03e09834c3a84f0e8da33e1875058a2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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