Sodium ion → 2-t-butyl-5-(alpha-ethyl-p-t-butylbenzylthio)-4-methyl-3(2H)-pyridazinone

HRID 675396Notes

Reaction equation

HRID 675396 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][cH:7][c:8]([SH:13])[c:9]([CH3:12])[c:10]1=[O:11].[CH2:14]([CH3:15])[CH:16]([c:17]1[cH:18][cH:19][c:20]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:21][cH:22]1)[Cl:27].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[OH2:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][cH:7][c:8]([S:13][CH:16]([CH2:14][CH3:15])[c:17]2[cH:18][cH:19][c:20]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:21][cH:22]2)[c:9]([CH3:12])[c:10]1=[O:11]

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 138222652-t-butyl-5-mercapto-4-methyl-3(2H)-pyridazinoneHCID 146742671-(tert-Butyl)-4-(1-chloropropyl)benzene

Product 1

HCID 138251252-t-butyl-5-(alpha-ethyl-p-t-butylbenzylthio)-4-methyl-3(2H)-pyridazinone

Sources & evidence

ORD record
ord-2303ead22f09405186cf7f5f36b3e198
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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