Hydrochloric Acid → N-{[2-{[3-Fluoro-4'-(trifluoromethyl)-4-biphenylyl]methyl}-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycine

HRID 309148Notes

Reaction equation

HRID 309148 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:27])[c:5]([CH2:8][n:9]2[n:10][c:11]([CH:24]([CH3:25])[CH3:26])[c:12]([OH:23])[c:13]([C:16](=[O:17])[NH:18][CH2:19][C:20](=[O:21])[OH:22])[c:14]2=[O:15])[cH:6][cH:7]1.[C:41](=[O:42])([O-:43])[O-:44].[CH2:126]1[O:127][CH2:128][CH2:129][O:130][CH2:131]1.[ClH:47].[F:28][C:29]([c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1)([F:39])[F:40].[K+:45].[K+:46].[OH2:48].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([C:29]([F:28])([F:39])[F:40])[cH:35][cH:34]2)[cH:3][c:4]([F:27])[c:5]([CH2:8][n:9]2[n:10][c:11]([CH:24]([CH3:25])[CH3:26])[c:12]([OH:23])[c:13]([C:16](=[O:17])[NH:18][CH2:19][C:20](=[O:21])[OH:22])[c:14]2=[O:15])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 54747353N-{[2-[(4-Bromo-2-fluorophenyl)methyl]-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycineHCID 178420554HCID 178420554, compound

Product 1

HCID 54747347N-{[2-{[3-Fluoro-4'-(trifluoromethyl)-4-biphenylyl]methyl}-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycine

Sources & evidence

ORD record
ord-40e3d5c1de0a46b6b53e56e7638db158
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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