Sodium ion → 4-(2-Acetylphenyl)benzoic acid

HRID 701218Notes

Reaction equation

HRID 701218 reaction equation
[Br:13][c:14]1[c:15]([C:20]([CH3:21])=[O:22])[cH:16][cH:17][cH:18][cH:19]1.[C:1](=[O:2])([OH:3])[c:4]1[cH:5][cH:6][c:7]([B:10]([OH:11])[OH:12])[cH:8][cH:9]1.[CH3:29][C:30]#[N:31].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([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)[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)([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]1>>[C:1](=[O:2])([OH:3])[c:4]1[cH:5][cH:6][c:7](-[c:14]2[c:15]([C:20]([CH3:21])=[O:22])[cH:16][cH:17][cH:18][cH:19]2)[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 750602'-BromoacetophenoneHCID 3121834-Carboxyphenylboronic AcidHCID 178420554HCID 178420554, compound

Product 1

HCID 200999564-(2-Acetylphenyl)benzoic acid

Sources & evidence

ORD record
ord-b4792dceaf21456ea8ef8f0d5955ed1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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