Water → p-Toluenesulfonate

HRID 1549048Notes

Reaction equation

HRID 1549048 reaction equation
[CH2:38]([O:39][CH2:40][CH3:41])[CH3:42].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)=[N:8][CH:9]([C:10](=[O:11])[O:12][CH2:13][C:14]([Cl:15])([Cl:16])[Cl:17])[P:18](=[O:19])([O:20][CH2:21][CH3:22])[O:23][CH2:24][CH3:25].[OH2:26].[c:27]1([CH3:37])[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[OH:36])[cH:31][cH:32]1>>[NH2:8][CH:9]([C:10](=[O:11])[O:12][CH2:13][C:14]([Cl:15])([Cl:16])[Cl:17])[P:18](=[O:19])([O:20][CH2:21][CH3:22])[O:23][CH2:24][CH3:25].[c:27]1([CH3:37])[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[O-:36])[cH:31][cH:32]1

Participants

6

Reactant 4

HCID 962WaterHCID 3283Diethyl EtherHCID 6101p-Toluenesulfonic acidHCID 54407468trichloroethyl N-benzylidene-alpha-amino-diethylphosphonoacetate

Product 2

HCID 85570p-ToluenesulfonateHCID 21529974Trichloroethyl alpha-amino-diethylphosphonoacetate

Sources & evidence

ORD record
ord-ca5d8fff31a648a19fe6d8acbdb3b4ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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