Acetate → HCID 67527663, compound

HRID 1133587Notes

Reaction equation

HRID 1133587 reaction equation
[Br:25][c:26]1[c:27]([CH3:50])[cH:28][c:29]([O:30][CH2:31][c:32]2[c:33]([CH:45]([CH3:46])[CH3:47])[cH:34][n:35][n:36]2-[c:37]2[c:38]([Cl:44])[cH:39][cH:40][cH:41][c:42]2[Cl:43])[cH:48][cH:49]1.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[c:7]2[c:8]([s:9][cH:10]1)[cH:11][c:12]([B:15]1[O:16][C:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23]1)[cH:13][cH:14]2)=[O:24].[CH3:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[CH:53]1([P:54]([CH:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[C:61]2([O:62][CH3:63])[CH2:64][CH:65]=[CH:66][C:67]([O:68][CH3:69])=[C:70]2[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[CH2:77][CH2:78][CH2:79][CH2:80][CH2:81]1.[K+:87].[K+:88].[K+:89].[N:51]#[N:52].[O-:102][C:103]([CH3:104])=[O:105].[O-:98][C:99]([CH3:100])=[O:101].[P:82]([O-:83])([O-:84])([O-:85])=[O:86].[Pd+2:97]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[c:7]2[c:8]([s:9][cH:10]1)[cH:11][c:12](-[c:26]1[c:27]([CH3:50])[cH:28][c:29]([O:30][CH2:31][c:32]3[c:33]([CH:45]([CH3:46])[CH3:47])[cH:34][n:35][n:36]3-[c:37]3[c:38]([Cl:44])[cH:39][cH:40][cH:41][c:42]3[Cl:43])[cH:48][cH:49]1)[cH:13][cH:14]2)=[O:24]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 947NitrogenHCID 1061PhosphateHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 665453372-Dicyclohexylphosphino-2,6-dimethoxybiphenylHCID 67272278HCID 67272278, compoundHCID 675277775-(4-Bromo-3-methyl-phenoxymethyl)-1-(2,6-dichloro-phenyl)-4-isopropyl-1H-pyrazole

Product 1

HCID 67527663HCID 67527663, compound

Sources & evidence

ORD record
ord-41713bbdb63a48f6ad2f79dbdbd5a317
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…