Toluene → HCID 69176012, compound

HRID 321134Notes

Reaction equation

HRID 321134 reaction equation
[CH2:1]([CH3:2])[O:3][CH2:4][c:5]1[n:6]([NH2:18])[c:7]2[c:8]([cH:9][n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:17]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH:19]([CH:20]([CH3:21])[CH3:22])=[O:23].[CH:48]([OH:49])([CH3:50])[CH3:51].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([O-:30])(=[O:31])=[O:32])[cH:33][cH:34]1.[nH+:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[CH2:1]([CH3:2])[O:3][CH2:4][c:5]1[n:6]([N:18]=[CH:19][CH:20]([CH3:21])[CH3:22])[c:7]2[c:8]([cH:9][n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:17]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 3776IsopropanolHCID 6561IsobutyraldehydeHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 21075716HCID 21075716, compound

Product 1

HCID 69176012HCID 69176012, compound

Sources & evidence

ORD record
ord-2a9d0410a3234212bcd4e96bd570f868
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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