Acetate → HCID 58456183, compound

HRID 676279Notes

Reaction equation

HRID 676279 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][c:5]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[n:20]2)[cH:6][c:7](-[c:9]2[cH:10][n:11][cH:12][s:13]2)[cH:8]1.[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH:25]1([B:27]([OH:28])[OH:29])[CH2:26][CH2:30]1.[CH:39]1([P:40]([CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[K+:36].[K+:37].[K+:38].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[OH2:67].[P:31]([O-:32])([O-:33])([O-:34])=[O:35].[Pd+2:58]>>[CH:2]1([c:3]2[cH:4][c:5]([NH:14][c:15]3[n:16][cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[n:20]3)[cH:6][c:7](-[c:9]3[cH:10][n:11][cH:12][s:13]3)[cH:8]2)[CH2:25][CH2:26]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 67257262HCID 67257262, compound

Product 1

HCID 58456183HCID 58456183, compound

Sources & evidence

ORD record
ord-d129018ca05048859d4ea63e7b693fc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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