Hydrochloric Acid → N-{[5-hydroxy-6-(1-methylethyl)-2-({4-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]phenyl}methyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycine

HRID 98249Notes

Reaction equation

HRID 98249 reaction equation
[Br:1][c:2]1[cH:3][cH:4][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:49](=[O:50])([O-:51])[O-:52].[CH2:56]1[O:57][CH2:58][CH2:59][O:60][CH2:61]1.[CH3:27][N:28]1[CH2:29][CH2:30][N:31]([c:34]2[n:35][cH:36][c:37]([B:40]3[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]3)[cH:38][cH:39]2)[CH2:32][CH2:33]1.[ClH:55].[K+:53].[K+:54].[OH2:62].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([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)[P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[c:2]1(-[c:37]2[cH:36][n:35][c:34]([N:31]3[CH2:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]3)[cH:39][cH:38]2)[cH:3][cH:4][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 27696181-Methyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazineHCID 54739228N-{[2-[(4-Bromophenyl)methyl]-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycineHCID 178420554HCID 178420554, compound

Product 1

HCID 54739209N-{[5-hydroxy-6-(1-methylethyl)-2-({4-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]phenyl}methyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycine

Sources & evidence

ORD record
ord-b06b2ca9126e45eeb1957da4ee383f25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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