Sodium ion → 5-(3-Nitro-2-methoxy-5-methyl-phenyl)thiophene-2-carboxylic acid

HRID 89826

Reaction equation

HRID 89826 reaction equation
[Br:22][c:23]1[cH:24][cH:25][c:26]([C:28](=[O:29])[OH:30])[s:27]1.[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[CH3:1][O:2][c:3]1[c:4]([B:13]2[O:14][C:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21]2)[cH:5][c:6]([CH3:12])[cH:7][c:8]1[N+:9](=[O:10])[O-:11].[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[OH2:43].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([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)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[CH3:1][O:2][c:3]1[c:4](-[c:23]2[cH:24][cH:25][c:26]([C:28](=[O:29])[OH:30])[s:27]2)[cH:5][c:6]([CH3:12])[cH:7][c:8]1[N+:9](=[O:10])[O-:11]

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 3491155-Bromothiophene-2-carboxylic acidHCID 57483818HCID 57483818, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 574838195-(3-Nitro-2-methoxy-5-methyl-phenyl)thiophene-2-carboxylic acid

Sources & evidence

ORD record
ord-d60270d1037d42929c82e4fc2818607d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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