Acetate → HCID 59244850, compound

HRID 303883Notes

Reaction equation

HRID 303883 reaction equation
[C:75]([O-:76])(=[O:77])[CH3:78].[C:80]([O-:81])(=[O:82])[CH3:83].[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([CH2:32][N:33]([c:34]2[n:35][cH:36][c:37](-[c:40]3[c:41]4[c:42]([n:43][c:44]([N:46]5[CH2:47][CH2:48][O:49][CH2:50][CH2:51]5)[n:45]3)[NH:52][CH2:53][CH2:54]4)[cH:38][n:39]2)[CH2:55][c:56]2[cH:57][cH:58][c:59]([O:62][CH3:63])[cH:60][cH:61]2)[cH:64][cH:65]1.[CH3:6][O:7][C:8]([CH2:9][N:10]([c:11]1[n:12][cH:13][cH:14][c:15]([Cl:17])[cH:16]1)[C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25].[K+:71].[K+:72].[K+:73].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[OH2:74].[P:66]([O-:67])([O-:68])([O-:69])=[O:70].[Pd+2:79]>>[CH3:6][O:7][C:8]([CH2:9][N:10]([c:11]1[n:12][cH:13][cH:14][c:15]([N:52]2[c:42]3[c:41]([c:40](-[c:37]4[cH:36][n:35][c:34]([N:33]([CH2:32][c:31]5[cH:30][cH:29][c:28]([O:27][CH3:26])[cH:65][cH:64]5)[CH2:55][c:56]5[cH:57][cH:58][c:59]([O:62][CH3:63])[cH:60][cH:61]5)[n:39][cH:38]4)[n:45][c:44]([N:46]4[CH2:47][CH2:48][O:49][CH2:50][CH2:51]4)[n:43]3)[CH2:54][CH2:53]2)[cH:16]1)[C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amineHCID 59244623HCID 59244623, compound

Product 1

HCID 59244850HCID 59244850, compound

Sources & evidence

ORD record
ord-298aed293c0440b698233c6aec6da0ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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