Dimethylamine → p-Toluenesulfonic acid

HRID 665719Notes

Reaction equation

HRID 665719 reaction equation
[Br:18][CH2:19][CH2:20][CH2:21][CH2:22][Cl:23].[CH3:1][O:2][C:3]1=[N:15][c:8]2[c:7]([c:12](=[C:13]=[O:14])[cH:11][cH:10][cH:9]2)=[C:4]1[O:5][CH3:6].[CH3:44][NH:45][CH3:46].[CH3:47][N:48]([CH2:49][CH2:50][CH2:51][CH2:52][N:53]1[CH:54]([O:66][CH3:67])[C:55]([O:64][CH3:65])=[c:56]2[c:57](=[C:62]=[O:63])[cH:58][cH:59][cH:60][c:61]21)[CH3:68].[CH3:69][c:70]1[cH:71][cH:72][c:73]([S:76]([OH:77])(=[O:78])=[O:79])[cH:74][cH:75]1.[Cl:24][CH2:25][CH2:26][CH2:27][CH2:28][N:29]1[c:30]2[c:31]([c:32](=[C:33]=[O:34])[cH:35][cH:36][cH:37]2)=[C:38]([O:39][CH3:40])[CH:41]1[O:42][CH3:43].[H-:16].[Na+:17].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84]>>[CH3:47][N:48]([CH2:49][CH2:50][CH2:51][CH2:52][N:53]1[CH:54]([O:66][CH3:67])[C:55]([O:64][CH3:65])=[c:56]2[c:57](=[C:62]=[O:63])[cH:58][cH:59][cH:60][c:61]21)[CH3:68].[CH3:69][c:70]1[cH:71][cH:72][c:73]([S:76](=[O:77])(=[O:78])[OH:79])[cH:74][cH:75]1

Participants

11

Reactant 9

HCID 674DimethylamineHCID 923Sodium ionHCID 6101p-Toluenesulfonic acidHCID 6228DimethylformamideHCID 813641-Bromo-4-chlorobutaneHCID 166653HydrideHCID 88737954HCID 88737954, compoundHCID 140338357HCID 140338357, compoundHCID 140338377HCID 140338377, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 140338377HCID 140338377, compound

Sources & evidence

ORD record
ord-bd8dacf6008441df8b5b9a1b68621280
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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