Acetate → HCID 11235018, compound

HRID 174543Notes

Reaction equation

HRID 174543 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][c:13]3[cH:14][cH:15][cH:16][c:17]([O:21][S:22]([C:23]([F:24])([F:25])[F:26])(=[O:27])=[O:28])[c:18]3[C:19]2=[O:20])[cH:9][cH:10]1.[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Fe+2:84].[NH2:29][CH2:30][c:31]1[n:32][c:33]([NH:37][CH3:38])[n:34][cH:35][cH:36]1.[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[Pd+2:39].[cH:48]1[cH:49][cH:50][c:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c-:59]2[cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65]1.[cH:66]1[cH:67][cH:68][c:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c-:77]2[cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][c:13]3[cH:14][cH:15][cH:16][c:17]([NH:29][CH2:30][c:31]4[n:32][c:33]([NH:37][CH3:38])[n:34][cH:35][cH:36]4)[c:18]3[C:19]2=[O:20])[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 1140TolueneHCID 27284Ferrous cationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 55290937HCID 55290937, compoundHCID 86596911HCID 86596911, compoundHCID 178420532HCID 178420532, compound2×

Product 1

HCID 11235018HCID 11235018, compound

Sources & evidence

ORD record
ord-2fe6c36d1f6e468da51df33139aebbfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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