2-Mercaptoethanesulfonate → Mafosfamide Sodium Salt

HRID 157108

Reaction equation

HRID 157108 reaction equation
[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH:24]1([NH3+:30])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[Cl:1][CH2:2][CH2:3][N:4]([P:5]1(=[O:13])[O:6][CH2:7][CH2:8][CH:9]([O:11][CH3:12])[NH:10]1)[CH2:14][CH2:15][Cl:16].[OH:31][C:32]([C:33]([Cl:34])([Cl:35])[Cl:36])=[O:37].[SH:17][CH2:18][CH2:19][S:20](=[O:21])(=[O:22])[O-:23]>>[CH:24]1([NH3+:30])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[Cl:1][CH2:2][CH2:3][N:4]([P:5]1(=[O:13])[O:6][CH2:7][CH2:8][CH:9]([S:17][CH2:18][CH2:19][S:20](=[O:21])(=[O:22])[OH:23])[NH:10]1)[CH2:14][CH2:15][Cl:16]

Participants

7

Reactant 5

HCID 40772-MercaptoethanesulfonateHCID 6228DimethylformamideHCID 6421Trichloroacetic AcidHCID 1549093Cyclohexylammonium IonHCID 230498792-(bis-(2-chloroethyl)-amino)-4-methoxy-tetrahydro-2H-1,3,2-oxazaphosphorin-2-oxide

Product 2

HCID 104746Mafosfamide Sodium SaltHCID 1549093Cyclohexylammonium Ion

Sources & evidence

ORD record
ord-6527468264cd4b3dae226d437efcd401
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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