Hydrochloric Acid → HCID 25064929, compound

HRID 2138547Notes

Reaction equation

HRID 2138547 reaction equation
[CH2:110]1[O:111][CH2:112][CH2:113][CH2:114]1.[CH3:116][OH:117].[CH3:39][O:40][CH2:41][CH2:42][NH2:43].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[ClH:38].[F:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][c:10](-[c:12]2[cH:13][cH:14][c:15]3[n:16]([n:17]2)[c:18]([CH2:21][O:22][c:23]2[cH:24][cH:25][n:26][c:27]4[cH:28][c:29]([O:33][CH3:34])[cH:30][cH:31][c:32]24)[n:19][n:20]3)[cH:11]1.[F:77][c:78]1[cH:79][c:80](-[c:81]2[cH:82][cH:83][c:84]3[n:85]([c:86]([CH2:87][O:88][c:89]4[c:90]5[c:91]([cH:92][c:93]([O:94][CH3:95])[cH:96][cH:97]5)[n:98][cH:99][cH:100]4)[n:101][n:102]3)[n:103]2)[cH:104][cH:105][c:106]1[C:107]([OH:108])=[O:109].[Li+:37].[O:118]=[CH:119][N:120]([CH3:121])[CH3:122].[OH-:36].[OH2:115].[OH2:35].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:43][CH2:42][CH2:41][O:40][CH3:39])[cH:8][cH:9][c:10](-[c:12]2[cH:13][cH:14][c:15]3[n:16]([n:17]2)[c:18]([CH2:21][O:22][c:23]2[cH:24][cH:25][n:26][c:27]4[cH:28][c:29]([O:33][CH3:34])[cH:30][cH:31][c:32]24)[n:19][n:20]3)[cH:11]1

Participants

14

Reactant 13

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 6228DimethylformamideHCID 80182-MethoxyethylamineHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67503070Methyl 2-fluoro-4-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzoateHCID 675034182-Fluoro-4-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzoic acid

Product 1

HCID 25064929HCID 25064929, compound

Sources & evidence

ORD record
ord-37bba141bb6d41cbbc85101e509d41af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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