Hydrochloric Acid → 4-[2-(2-aminopyridin-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide

HRID 154326Notes

Reaction equation

HRID 154326 reaction equation
[CH3:80][OH:81].[ClH:82].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([O:10][c:11]3[cH:12][c:13]([F:31])[c:14]([S:18](=[O:19])(=[O:20])[N:21]([c:22]4[n:23][n:24][cH:25][cH:26][cH:27]4)[CH2:28][O:29][CH3:30])[cH:15][c:16]3[Cl:17])[cH:32][cH:33][c:34]([Cl:36])[cH:35]2)[cH:7]1.[NH2:37][c:38]1[cH:39][c:40](-[c:41]2[cH:42][c:43]([Cl:44])[cH:45][cH:46][c:47]2[O:48][c:49]2[c:50]([Cl:51])[cH:52][c:53]([S:54]([N:55]=[c:56]3[n:57]([CH2:58][O:59][CH3:60])[n:61][cH:62][cH:63][cH:64]3)(=[O:65])=[O:66])[c:67]([F:68])[cH:69]2)[cH:70][cH:71][n:72]1.[OH2:83].[OH:73][C:74]([C:75]([F:76])([F:77])[F:78])=[O:79]>>[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9]([O:10][c:11]3[cH:12][c:13]([F:31])[c:14]([S:18](=[O:19])(=[O:20])[NH:21][c:22]4[n:23][n:24][cH:25][cH:26][cH:27]4)[cH:15][c:16]3[Cl:17])[cH:32][cH:33][c:34]([Cl:36])[cH:35]2)[cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 6422Trifluoroacetic acidHCID 59436553HCID 59436553, compoundHCID 66905934HCID 66905934, compound

Product 1

HCID 468419344-[2-(2-aminopyridin-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide

Sources & evidence

ORD record
ord-86dcb330ffe34ebeb1b0a55ad23cb07f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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