Acetate → HCID 57576711, compound

HRID 1201739Notes

Reaction equation

HRID 1201739 reaction equation
[CH2:73]([OH:74])[CH2:75][CH3:76].[CH3:69][C:70]#[N:71].[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6]([Br:25])[cH:7][n:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:19][O:20][N:21]=[C:22]([CH3:23])[CH3:24])[n:14]2[CH2:15][CH:16]([CH3:17])[CH3:18].[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[OH2:72].[OH:26][B:27]([OH:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Pd+2:60].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:7][n:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:19][O:20][N:21]=[C:22]([CH3:23])[CH3:24])[n:14]2[CH2:15][CH:16]([CH3:17])[CH3:18]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 10311-PropanolHCID 6342AcetonitrileHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57576748HCID 57576748, compound

Product 1

HCID 57576711HCID 57576711, compound

Sources & evidence

ORD record
ord-6cd7b0fe5b604d009cfe56f9df46aea1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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