Hydrochloric Acid → 4-[3-chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid

HRID 1143819Notes

Reaction equation

HRID 1143819 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:32])[c:8]2[n:9]([n:10][cH:11][c:12]([C:29]#[N:30])[c:13]2[NH:14][c:15]2[cH:16][c:17]([Cl:28])[c:18]([S:21][c:22]3[n:23]([CH3:27])[cH:24][cH:25][n:26]3)[cH:19][cH:20]2)[cH:31]1.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:35][CH2:36][OH:37].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[ClH:43].[Na+:34].[OH-:33]>>[O:3]=[C:4]([OH:5])[c:6]1[c:7]([CH3:32])[c:8]2[n:9]([n:10][cH:11][c:12]([C:29]#[N:30])[c:13]2[NH:14][c:15]2[cH:16][c:17]([Cl:28])[c:18]([S:21][c:22]3[n:23]([CH3:27])[cH:24][cH:25][n:26]3)[cH:19][cH:20]2)[cH:31]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 21025108HCID 21025108, compound

Product 1

HCID 221794404-[3-chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Sources & evidence

ORD record
ord-33eb7fe92626461db9df0f695ab07ed7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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