Hydrochloric Acid → HCID 25064929, compound

HRID 168833Notes

Reaction equation

HRID 168833 reaction equation
[CH2:101]1[O:102][CH2:103][CH2:104][CH2:105]1.[CH3:107][OH:108].[CH3:39][O:40][CH2:41][CH2:42][NH2:43].[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:68][c:69]1[cH:70][c:71](-[c:72]2[cH:73][cH:74][c:75]3[n:76]([c:77]([CH2:78][O:79][c:80]4[c:81]5[c:82]([cH:83][c:84]([O:85][CH3:86])[cH:87][cH:88]5)[n:89][cH:90][cH:91]4)[n:92][n:93]3)[n:94]2)[cH:95][cH:96][c:97]1[C:98]([OH:99])=[O:100].[Li+:37].[O:109]=[CH:110][N:111]([CH3:112])[CH3:113].[OH-:36].[OH2:106].[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

13

Reactant 12

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 6228DimethylformamideHCID 80182-MethoxyethylamineHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 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-480d68669ddc4ae39d5645614307f507
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…