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

HRID 1208633Notes

Reaction equation

HRID 1208633 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:39](=[O:40])([O-:41])[O-:42].[CH2:124]1[O:125][CH2:126][CH2:127][O:128][CH2:129]1.[CH3:28][O:29][c:30]1[c:31]([B:36]([OH:37])[OH:38])[cH:32][cH:33][cH:34][cH:35]1.[ClH:45].[K+:43].[K+:44].[OH2:46].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:2]1(-[c:31]2[c:30]([O:29][CH3:28])[cH:35][cH:34][cH:33][cH:32]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 27339582-Methoxyphenylboronic 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 54739231N-{[2-{[3-Fluoro-2'-(methyloxy)-4-biphenylyl]methyl}-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycine

Sources & evidence

ORD record
ord-98d7c4c036e946ed8c61129198c9aafb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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