Acetate → HCID 59409476, compound

HRID 1216003Notes

Reaction equation

HRID 1216003 reaction equation
[C:75]([O-:76])(=[O:77])[CH3:78].[C:80]([O-:81])(=[O:82])[CH3:83].[CH3:60][C:61]([CH3:62])([O-:63])[CH3:64].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[Cl-:66].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[c:10]3[n:11][cH:12][cH:13][cH:14][c:15]3[n:16]2[CH2:17][CH2:18][F:19])[cH:7]1.[F:27][c:28]1[cH:29][c:30]([NH2:34])[cH:31][cH:32][cH:33]1.[NH4+:67].[Na+:65].[Pd+2:79].[c:35]1(-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][c:46]1[P:47]([CH:48]1[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1)[CH:54]1[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1>>[c:2]1([NH:34][c:30]2[cH:29][c:28]([F:27])[cH:33][cH:32][cH:31]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[c:10]3[n:11][cH:12][cH:13][cH:14][c:15]3[n:16]2[CH2:17][CH2:18][F:19])[cH:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 1140TolueneHCID 97423-FluoroanilineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 86643499HCID 86643499, compound

Product 1

HCID 59409476HCID 59409476, compound

Sources & evidence

ORD record
ord-967052f2c2b445b3bc18596284930b5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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