Acetate → HCID 76677478, compound

HRID 2123407Notes

Reaction equation

HRID 2123407 reaction equation
[C:48]([P:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1-[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)([CH3:66])([CH3:67])[CH3:68].[CH2:36]1[CH2:37][O:38][CH2:39][CH2:40][NH:41]1.[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[CH3:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[CH:69]([Cl:70])([Cl:71])[Cl:72].[Cl:7][c:8]1[cH:9][c:10]([NH:15][CH:16]2[CH2:17][N:18]([C:22]([CH2:23][c:24]3[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]3)=[O:35])[CH2:19][CH:20]2[OH:21])[n:11][c:12]([CH3:14])[cH:13]1.[NH2:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:47].[O-:74][C:75]([CH3:76])=[O:77].[O-:78][C:79]([CH3:80])=[O:81].[Pd+2:73]>>[c:8]1([N:41]2[CH2:36][CH2:37][O:38][CH2:39][CH2:40]2)[cH:9][c:10]([NH:15][CH:16]2[CH2:17][N:18]([C:22]([CH2:23][c:24]3[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]3)=[O:35])[CH2:19][CH:20]2[OH:21])[n:11][c:12]([CH3:14])[cH:13]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 6212ChloroformHCID 8083MorpholineHCID 279461-PyrrolidinamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 76677484HCID 76677484, compound

Product 1

HCID 76677478HCID 76677478, compound

Sources & evidence

ORD record
ord-d948b8cd238243d68e63c913c485893f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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