Toluene → HCID 5325127, compound

HRID 199858Notes

Reaction equation

HRID 199858 reaction equation
[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[NH2:9][CH:10]([P:11]([O:12][CH2:13][CH3:14])([O:15][CH2:16][CH3:17])=[O:18])[P:19]([O:20][CH2:21][CH3:22])([O:23][CH2:24][CH3:25])=[O:26].[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1.[n:1]1[c:2]([CH:7]=[O:8])[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([CH2:7][NH:9][CH:10]([P:11]([O:12][CH2:13][CH3:14])([O:15][CH2:16][CH3:17])=[O:18])[P:19]([O:20][CH2:21][CH3:22])([O:23][CH2:24][CH3:25])=[O:26])[cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 142732-PyridinecarboxaldehydeHCID 2773808Tetraethyl aminomethylenediphosphonate

Product 1

HCID 5325127HCID 5325127, compound

Sources & evidence

ORD record
ord-446ae3683183465dbd2ab08e013fad99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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