Toluene → HCID 54571361, compound

HRID 306456Notes

Reaction equation

HRID 306456 reaction equation
[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[F:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][cH:21][c:22]([C:25]([CH2:26][CH2:27][NH2:28])([CH3:29])[OH:30])[cH:23][cH:24]2)[cH:17][cH:18]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1>>[F:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][cH:21][c:22]([C:25](=[CH:26][CH2:27][NH2:28])[CH3:29])[cH:23][cH:24]2)[cH:17][cH:18]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 6101p-Toluenesulfonic acid2×HCID 20302326HCID 20302326, compound

Product 1

HCID 54571361HCID 54571361, compound

Sources & evidence

ORD record
ord-4c27bf79684e47a6847e92cfc8fddb93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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