Methanol → alpha-[[2-[[Bis[bis(2-chloroethyl)amino]phosphinyl]oxy]ethyl]thio]toluene

HRID 1565458Notes

Reaction equation

HRID 1565458 reaction equation
[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][OH:49].[Cl:11][CH2:12][CH2:13][N:14]([P:15]([O:16][CH2:17][CH2:18][O:19][S:20]([c:21]1[cH:22][cH:23][c:24]([Br:25])[cH:26][cH:27]1)(=[O:28])=[O:29])(=[O:30])[N:31]([CH2:32][CH2:33][Cl:34])[CH2:35][CH2:36][Cl:37])[CH2:38][CH2:39][Cl:40].[Na+:2].[OH-:1].[c:3]1([CH2:9][SH:10])[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[c:3]1([CH2:9][S:10][CH2:18][CH2:17][O:16][P:15]([N:14]([CH2:13][CH2:12][Cl:11])[CH2:38][CH2:39][Cl:40])(=[O:30])[N:31]([CH2:32][CH2:33][Cl:34])[CH2:35][CH2:36][Cl:37])[cH:4][cH:5][cH:6][cH:7][cH:8]1

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 7509Benzyl mercaptanHCID 179493772-(4-Bromobenzene-sulfonyloxy)ethyl tetrakis(2-chloroethyl)phosphorodiamidate

Product 1

HCID 66650921alpha-[[2-[[Bis[bis(2-chloroethyl)amino]phosphinyl]oxy]ethyl]thio]toluene

Sources & evidence

ORD record
ord-3c6c02b59cda4a88bbf7fc230774c847
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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