Chloride → Ethyl 4-oxo-4-(3-thienyl)butyrate

HRID 283217

Reaction equation

HRID 283217 reaction equation
[C:30](=[O:31])([O-:32])[OH:33].[CH2:12]([Sn:13]([CH2:14][CH2:15][CH2:16][CH3:22])([c:17]1[cH:18][s:19][cH:20][cH:21]1)[CH2:23][CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29].[CH2:2]([CH3:3])[O:4][C:5]([CH2:6][CH2:7][C:8](=[O:9])[OH:10])=[O:11].[Cl-:1].[Na+:34].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[Pd:41]([Cl:42])[Cl:43].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[CH2:2]([CH3:3])[O:4][C:5]([CH2:6][CH2:7][C:8](=[O:10])[c:17]1[cH:18][s:19][cH:20][cH:21]1)=[O:11]

Participants

9

Reactant 8

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 70610Monoethyl succinateHCID 10959689Stannane, tributyl-3-thienyl-

Product 1

HCID 24723426Ethyl 4-oxo-4-(3-thienyl)butyrate

Sources & evidence

ORD record
ord-46a11445c3344f809803132b7eaa9c50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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