Toluene → HCID 69176562, compound

HRID 1145532Notes

Reaction equation

HRID 1145532 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.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH:19]([CH2:20][CH:21]([CH3:22])[CH3:23])=[O:24].[CH:49]([OH:50])([CH3:51])[CH3:52].[Cl:53][CH:54]([Cl:55])[Cl:56].[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([O-:31])(=[O:32])=[O:33])[cH:34][cH:35]1.[nH+:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH2:1]([CH3:2])[O:3][CH2:4][c:5]1[n:6]([N:18]=[CH:19][CH2:20][CH:21]([CH3:22])[CH3:23])[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

8

Reactant 7

HCID 1140TolueneHCID 3776IsopropanolHCID 6212ChloroformHCID 115523-MethylbutanalHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 21075716HCID 21075716, compound

Product 1

HCID 69176562HCID 69176562, compound

Sources & evidence

ORD record
ord-a0267f791ae4435fa54f6bf4ce1cf5c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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