Acetate → 4-(Phenylamino)benzoic acid

HRID 2342681Notes

Reaction equation

HRID 2342681 reaction equation
[Br:54][c:55]1[cH:56][cH:57][c:58]([C:59](=[O:60])[OH:61])[cH:62][cH:63]1.[C:64](=[O:65])([O-:66])[O-:67].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[Cs+:68].[Cs+:69].[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[Pd+2:77].[c:47]1([NH2:53])[cH:48][cH:49][cH:50][cH:51][cH:52]1.[cH:1]1[cH:2][cH:3][c:4]([P:5]([c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:11][cH:12][cH:13][cH:14]3)[c:15]2-[c:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[cH:23][cH:24][c:25]2[P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46]1>>[c:47]1([NH:53][c:55]2[cH:56][cH:57][c:58]([C:59](=[O:60])[OH:61])[cH:62][cH:63]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 6115AnilineHCID 114644-Bromobenzoic acidHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-

Product 1

HCID 2923314-(Phenylamino)benzoic acid

Sources & evidence

ORD record
ord-176cfdc317ed492eb9232822f1635154
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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