Acetate → HCID 67299911, compound

HRID 1562399Notes

Reaction equation

HRID 1562399 reaction equation
[C:63]([O:64][CH2:65][CH3:66])(=[O:67])[CH3:68].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([Br:12])[cH:8][n:9][c:10]1[NH2:11].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:69][CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][CH3:75].[CH:13]1([B:16]([OH:17])[OH:18])[CH2:14][CH2:15]1.[CH:27]1([P:28]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[K+:24].[K+:25].[K+:26].[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[OH2:53].[P:19]([O-:20])([O-:21])([O-:22])=[O:23].[Pd+2:54]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([CH:13]2[CH2:14][CH2:15]2)[cH:8][n:9][c:10]1[NH2:11]

Participants

12

Reactant 11

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 227251Methyl 3-Amino-6-bromopyrazine-2-carboxylateHCID 2760897Cyclopropylboronic acid

Product 1

HCID 67299911HCID 67299911, compound

Sources & evidence

ORD record
ord-b996b8f7785d4d7faf0afb7fdb9d43fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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