Sodium ion → 3-[1-Benzenesulfonyl-3-(2-butoxy-3,5-diisopropyl-phenyl)-1H-indol-5-yl]-but-2-enoic acid methyl ester

HRID 1212643Notes

Reaction equation

HRID 1212643 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH2:27]([CH2:28][CH2:29][CH3:30])[O:31][c:32]1[c:33]([B:44]([OH:45])[OH:46])[cH:34][c:35]([CH:41]([CH3:42])[CH3:43])[cH:36][c:37]1[CH:38]([CH3:39])[CH3:40].[CH3:1][O:2][C:3]([CH:4]=[C:5]([CH3:6])[c:7]1[cH:8][c:9]2[c:10]([I:25])[cH:11][n:12]([S:16](=[O:17])(=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:13]2[cH:14][cH:15]1)=[O:26].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71].[Na+:51].[Na+:52].[OH2:72].[Pd:73].[c:112]1([P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127][cH:128][cH:129][cH:130]1.[c:131]1([P:132]([c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[c:139]2[cH:140][cH:141][cH:142][cH:143][cH:144]2)[cH:145][cH:146][cH:147][cH:148][cH:149]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[CH3:1][O:2][C:3]([CH:4]=[C:5]([CH3:6])[c:7]1[cH:8][c:9]2[c:10](-[c:33]3[c:32]([O:31][CH2:27][CH2:28][CH2:29][CH3:30])[c:37]([CH:38]([CH3:39])[CH3:40])[cH:36][c:35]([CH:41]([CH3:42])[CH3:43])[cH:34]3)[cH:11][n:12]([S:16](=[O:17])(=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:13]2[cH:14][cH:15]1)=[O:26]

Participants

11

Reactant 10

HCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine4×HCID 19660Carbonate IonHCID 23938PalladiumHCID 17952696(2-Butoxy-3,5-diisopropylphenyl)-boronic acidHCID 692188963-(1-Benzenesulfonyl-3-iodo-1H-indol-5-yl)-but-2-enoic acid methyl ester

Product 1

HCID 692206043-[1-Benzenesulfonyl-3-(2-butoxy-3,5-diisopropyl-phenyl)-1H-indol-5-yl]-but-2-enoic acid methyl ester

Sources & evidence

ORD record
ord-0d5262ed415c4f53aa0cd52a0c963bac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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