Acetate → HCID 67009234, compound

HRID 1123263Notes

Reaction equation

HRID 1123263 reaction equation
[C:29]([CH3:30])(=[O:31])[O:32][CH2:33][C:34]([O:35][c:36]1[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1)([CH3:45])[CH3:46].[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cu+2:64].[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.[O:75]1[CH2:76][CH2:77][CH2:78][CH2:79]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[O:1]=[c:2]1[n:3](-[c:39]2[cH:38][cH:37][c:36]([O:35][C:34]([CH2:33][O:32][C:29]([CH3:30])=[O:31])([CH3:45])[CH3:46])[cH:41][cH:40]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 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 57460875HCID 57460875, compoundHCID 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 67009234HCID 67009234, compound

Sources & evidence

ORD record
ord-2aaf7e445f0f47a4a31f9350fff27e96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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