Acetate → Ethyl ({4-[(2-(ethyloxy)-1-{6-[4-(trifluoromethyl)phenyl]-2-pyridinyl}ethyl)thio]-2-methylphenyl}oxy)acetate

HRID 1212983Notes

Reaction equation

HRID 1212983 reaction equation
[Br:31][c:32]1[cH:33][cH:34][cH:35][c:36]([CH:38]([CH2:39][O:40][CH2:41][CH3:42])[S:43][c:44]2[cH:45][c:46]([CH3:57])[c:47]([O:50][CH2:51][C:52](=[O:53])[O:54][CH2:55][CH3:56])[cH:48][cH:49]2)[n:37]1.[C:25](=[O:26])([O-:27])[O-:28].[CH2:73]1[O:74][CH2:75][CH2:76][O:77][CH2:78]1.[CH3:2][c:3]1[cH:4][c:5]([CH3:6])[cH:7][c:8]([CH3:9])[c:10]1-[n+:11]1[cH:12][cH:13][n:14](-[c:15]2[c:16]([CH3:17])[cH:18][c:19]([CH3:20])[cH:21][c:22]2[CH3:23])[cH:24]1.[Cl-:1].[Cs+:29].[Cs+:30].[F:58][C:59]([c:60]1[cH:61][cH:62][c:63]([B:66]2[O:67][CH2:68][CH2:69][O:70]2)[cH:64][cH:65]1)([F:71])[F:72].[O-:80][C:81]([CH3:82])=[O:83].[O-:84][C:85]([CH3:86])=[O:87].[Pd+2:79]>>[c:32]1(-[c:63]2[cH:62][cH:61][c:60]([C:59]([F:58])([F:71])[F:72])[cH:65][cH:64]2)[cH:33][cH:34][cH:35][c:36]([CH:38]([CH2:39][O:40][CH2:41][CH3:42])[S:43][c:44]2[cH:45][c:46]([CH3:57])[c:47]([O:50][CH2:51][C:52](=[O:53])[O:54][CH2:55][CH3:56])[cH:48][cH:49]2)[n:37]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 312ChlorideHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734212CID 2734212HCID 205838462-[4-(Trifluoromethyl)phenyl]-1,3,2-dioxaborolaneHCID 58629945Ethyl [(4-{[1-(6-bromo-2-pyridinyl)-2-(ethyloxy)ethyl]thio}-2-methylphenyl)oxy]acetate

Product 1

HCID 58629824Ethyl ({4-[(2-(ethyloxy)-1-{6-[4-(trifluoromethyl)phenyl]-2-pyridinyl}ethyl)thio]-2-methylphenyl}oxy)acetate

Sources & evidence

ORD record
ord-035079c5643640dda59baec38254c253
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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