Toluene → HCID 66651903, compound

HRID 1548589Notes

Reaction equation

HRID 1548589 reaction equation
[CH3:1][O:2][c:3]1[c:4]([N+:26](=[O:27])[O-:28])[c:5]2[c:14]([cH:15][cH:16]1)[CH:13]([OH:17])[CH:12]([c:18]1[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]1)[CH:11]1[CH:6]2[CH2:7][CH2:8][CH2:9][CH2:10]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[CH3:1][O:2][c:3]1[c:4]([N+:26](=[O:27])[O-:28])[c:5]2[c:14]([cH:15][cH:16]1)[CH:13]=[C:12]([c:18]1[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]1)[CH:11]1[CH:6]2[CH2:7][CH2:8][CH2:9][CH2:10]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 66652375HCID 66652375, compound

Product 1

HCID 66651903HCID 66651903, compound

Sources & evidence

ORD record
ord-4e72e7adb5254a5cbbad1b8a221f2d84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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