Acetate → HCID 57863432, compound

HRID 88146Notes

Reaction equation

HRID 88146 reaction equation
[CH2:57]1[O:58][CH2:59][CH2:60][O:61][CH2:62]1.[Cl:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[cH:12][cH:13][c:14]([NH:17][C:18](=[O:19])[NH:20][c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)[cH:15][cH:16]1)[cH:9][n:10]2.[K+:45].[K+:46].[K+:47].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[OH2:63].[P:40]([O-:41])([O-:42])([O-:43])=[O:44].[Pd+2:48].[n:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1>>[c:2]1(-[c:34]2[cH:33][cH:32][n:31][cH:36][cH:35]2)[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[cH:12][cH:13][c:14]([NH:17][C:18](=[O:19])[NH:20][c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)[cH:15][cH:16]1)[cH:9][n:10]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734379(Pyridin-4-yl)boronic acidHCID 68543228HCID 68543228, compound

Product 1

HCID 57863432HCID 57863432, compound

Sources & evidence

ORD record
ord-5b7db3bbb56b41a7a73d82b4d915e792
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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