Hydrochloric Acid → 4-Ethyl-5-(4-methylbenzylamino)-2-t-butyl-3(2H)pyridazinone

HRID 215498Notes

Reaction equation

HRID 215498 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH2:1]([CH3:2])[c:3]1[c:4](=[O:14])[n:5]([C:10]([CH3:11])([CH3:12])[CH3:13])[n:6][cH:7][c:8]1[Cl:9].[CH3:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][NH2:21])[cH:22][cH:23]1.[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH3:38][S:39](=[O:40])[CH3:41].[ClH:30].[K+:28].[K+:29].[OH2:37]>>[CH2:1]([CH3:2])[c:3]1[c:4](=[O:14])[n:5]([C:10]([CH3:11])([CH3:12])[CH3:13])[n:6][cH:7][c:8]1[NH:21][CH2:20][c:19]1[cH:18][cH:17][c:16]([CH3:15])[cH:23][cH:22]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 8058HexaneHCID 19660Carbonate IonHCID 660354-MethylbenzylamineHCID 138250102-t-butyl-5-chloro-4-ethyl-3(2H)-pyridazinone

Product 1

HCID 138538904-Ethyl-5-(4-methylbenzylamino)-2-t-butyl-3(2H)pyridazinone

Sources & evidence

ORD record
ord-1e3d0d43c07a49caaef8d4b607b2796f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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