Acetate → HCID 57445396, compound

HRID 149223Notes

Reaction equation

HRID 149223 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5](-[c:8]2[cH:9][c:10]([F:16])[c:11]([O:14][CH3:15])[cH:12][cH:13]2)[n:6][cH:7]1.[CH3:70][C:71]([CH3:72])([O-:73])[CH3:74].[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[NH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[Na+:75].[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[Pd+2:76].[cH:24]1[cH:25][cH:26][c:27]([P:28]([c:29]2[cH:30][cH:31][c:32]3[c:33]([cH:34][cH:35][cH:36][cH:37]3)[c:38]2-[c:39]2[c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[cH:46][cH:47][c:48]2[P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69]1>>[c:2]1([NH:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:3][n:4][c:5](-[c:8]2[cH:9][c:10]([F:16])[c:11]([O:14][CH3:15])[cH:12][cH:13]2)[n:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 6115AnilineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 57445395HCID 57445395, compound

Product 1

HCID 57445396HCID 57445396, compound

Sources & evidence

ORD record
ord-7ea860c87cf343fa8f80358a7a96694f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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