Methanol → N-methyl-2-[[2-[[bis[bis(2-chloroethyl)amino]phosphinyl]oxy]ethyl]thio]acetamide

HRID 1140640Notes

Reaction equation

HRID 1140640 reaction equation
[CH3:3][NH:4][C:5]([CH2:6][SH:7])=[O:8].[CH3:46][OH:47].[CH3:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[Cl:16][CH2:17][CH2:18][N:19]([P:20]([O:21][CH2:22][CH2:23][O:24][S:25]([c:26]1[cH:27][cH:28][c:29]([Br:30])[cH:31][cH:32]1)(=[O:33])=[O:34])(=[O:35])[N:36]([CH2:37][CH2:38][Cl:39])[CH2:40][CH2:41][Cl:42])[CH2:43][CH2:44][Cl:45].[Na+:2].[OH-:1]>>[CH3:3][NH:4][C:5]([CH2:6][S:7][CH2:23][CH2:22][O:21][P:20]([N:19]([CH2:18][CH2:17][Cl:16])[CH2:43][CH2:44][Cl:45])(=[O:35])[N:36]([CH2:37][CH2:38][Cl:39])[CH2:40][CH2:41][Cl:42])=[O:8]

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 4047279Acetamide, 2-mercapto-N-methyl-HCID 179493772-(4-Bromobenzene-sulfonyloxy)ethyl tetrakis(2-chloroethyl)phosphorodiamidate

Product 1

HCID 86601850N-methyl-2-[[2-[[bis[bis(2-chloroethyl)amino]phosphinyl]oxy]ethyl]thio]acetamide

Sources & evidence

ORD record
ord-dabd54e9a2ef42e3acae0ffa5614f367
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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