Acetate → 5-(2,4-difluorophenoxy)-1-(2-fluoro-2-methylpropyl)-1H-indazole-6-carboxylic acid

HRID 1218454Notes

Reaction equation

HRID 1218454 reaction equation
[Br:1][c:2]1[c:3]([O:16][c:17]2[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:4][c:5]2[cH:6][n:7][n:8]([CH2:11][C:12]([CH3:13])([CH3:14])[F:15])[c:9]2[cH:10]1.[C:27]([O-:28])([O-:29])=[O:30].[CH3:25][OH:26].[K+:31].[K+:32].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[OH2:71].[Pd+2:62].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:41][CH2:42][CH2:43][P:44]([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)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[c:2]1([C:27](=[O:28])[OH:29])[c:3]([O:16][c:17]2[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:4][c:5]2[cH:6][n:7][n:8]([CH2:11][C:12]([CH3:13])([CH3:14])[F:15])[c:9]2[cH:10]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 812191,3-Bis(diphenylphosphino)propaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 67417764HCID 67417764, compound

Product 1

HCID 674162635-(2,4-difluorophenoxy)-1-(2-fluoro-2-methylpropyl)-1H-indazole-6-carboxylic acid

Sources & evidence

ORD record
ord-78021a20b188438dab45d1691405123c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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