Sodium ion → tert-butyl 6-cyclohexyl-5-(2-formyl-4-methoxyphenyl)-4-(2-methoxy-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate

HRID 1568343Notes

Reaction equation

HRID 1568343 reaction equation
[Br:1][c:2]1[c:3]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[c:4]2[c:5]([n:6]1[CH2:7][C:8](=[O:9])[O:10][CH3:11])[cH:12][c:13]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[s:14]2.[C:41](=[O:42])([O-:43])[O-:44].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH:28](=[O:29])[c:30]1[c:31]([B:38]([OH:39])[OH:40])[cH:32][cH:33][c:34]([O:36][CH3:37])[cH:35]1.[Na+:45].[Na+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[Pd:59]([Cl:60])[Cl:61].[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:2]1(-[c:31]2[c:30]([CH:28]=[O:29])[cH:35][c:34]([O:36][CH3:37])[cH:33][cH:32]2)[c:3]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[c:4]2[c:5]([n:6]1[CH2:7][C:8](=[O:9])[O:10][CH3:11])[cH:12][c:13]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[s:14]2

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 27343652-Formyl-4-methoxybenzeneboronic acidHCID 67298890tert-butyl 5-bromo-6-cyclohexyl-4-(2-methoxy-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate

Product 1

HCID 86629779tert-butyl 6-cyclohexyl-5-(2-formyl-4-methoxyphenyl)-4-(2-methoxy-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate

Sources & evidence

ORD record
ord-42996eb748224d6a80dd1e110eb2687f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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