Benzene → HCID 12818322, compound

HRID 144262Notes

Reaction equation

HRID 144262 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([NH2:5])[c:6]([CH2:10][CH3:11])[cH:7][cH:8][cH:9]1.[CH:12]([CH:13]([CH3:14])[CH3:15])=[O:16].[OH2:17].[c:18]1([CH3:19])[cH:20][cH:21][c:22]([S:23]([OH:24])(=[O:25])=[O:26])[cH:27][cH:28]1.[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH2:1]([CH3:2])[c:3]1[c:4]([N:5]=[CH:12][CH:13]([CH3:14])[CH3:15])[c:6]([CH2:10][CH3:11])[cH:7][cH:8][cH:9]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 6561IsobutyraldehydeHCID 113692,6-Diethylaniline

Product 1

HCID 12818322HCID 12818322, compound

Sources & evidence

ORD record
ord-4fb5c2766edf43a2bc01218fee934051
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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