Acetate → HCID 59853655, compound

HRID 1137058Notes

Reaction equation

HRID 1137058 reaction equation
[Br-:45].[Br:1][c:2]1[c:3]([C:4](=[O:5])[N:6]2[CH2:7][CH2:8][N:9]([c:12]3[c:13]([F:21])[cH:14][c:15]([C:18]([CH3:19])=[O:20])[cH:16][cH:17]3)[CH2:10][CH2:11]2)[cH:22][c:23]([N+:26](=[O:27])[O-:28])[cH:24][cH:25]1.[CH3:29][c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[CH3:46][CH2:47][CH2:48][CH2:49][N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[OH2:63].[Pd+2:64]>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([CH3:29])[cH:35][cH:34]2)[c:3]([C:4](=[O:5])[N:6]2[CH2:7][CH2:8][N:9]([c:12]3[c:13]([F:21])[cH:14][c:15]([C:18]([CH3:19])=[O:20])[cH:16][cH:17]3)[CH2:10][CH2:11]2)[cH:22][c:23]([N+:26](=[O:27])[O-:28])[cH:24][cH:25]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 259Bromide ionHCID 923Sodium ion2×HCID 962WaterHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 79799Tolylboronic acidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59853713HCID 59853713, compound

Product 1

HCID 59853655HCID 59853655, compound

Sources & evidence

ORD record
ord-cd7c24b8dc4542cb84656d3957be714b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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