p-Toluenesulfonic acid → HCID 18770707, compound

HRID 668390Notes

Reaction equation

HRID 668390 reaction equation
[CH3:20][C:21]([CH2:22][CH:23]=[O:24])([CH3:25])[CH3:26].[Cl:10][c:11]1[cH:12][cH:13][c:14]([C:15](=[O:16])[NH2:17])[cH:18][cH:19]1.[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1.[nH:1]1[n:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH:23]([NH:17][C:15]([c:14]2[cH:13][cH:12][c:11]([Cl:10])[cH:19][cH:18]2)=[O:16])[CH2:22][C:21]([CH3:20])([CH3:25])[CH3:26])[n:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

5

Reactant 4

HCID 6101p-Toluenesulfonic acidHCID 120844-ChlorobenzamideHCID 763353,3-DimethylbutanalHCID 178418385HCID 178418385, compound

Product 1

HCID 18770707HCID 18770707, compound

Sources & evidence

ORD record
ord-defbcdf6fae24ec3b78a05d65eedce84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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