Acetonitrile → Diethyl N-(2,3-dimethoxy-7-nitroquinoxalin-5-ylmethyl)-2-aminophenylphosphonate

HRID 1231566Notes

Reaction equation

HRID 1231566 reaction equation
[Br:1][CH2:2][c:3]1[c:4]2[n:5][c:6]([O:18][CH3:19])[c:7]([O:16][CH3:17])[n:8][c:9]2[cH:10][c:11]([N+:13](=[O:14])[O-:15])[cH:12]1.[CH3:44][C:45]#[N:46].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[NH2:20][c:21]1[c:22]([P:27]([O:28][CH2:29][CH3:30])([O:31][CH2:32][CH3:33])=[O:34])[cH:23][cH:24][cH:25][cH:26]1>>[CH2:2]([c:3]1[c:4]2[n:5][c:6]([O:18][CH3:19])[c:7]([O:16][CH3:17])[n:8][c:9]2[cH:10][c:11]([N+:13](=[O:14])[O-:15])[cH:12]1)[NH:20][c:21]1[c:22]([P:27]([O:28][CH2:29][CH3:30])([O:31][CH2:32][CH3:33])=[O:34])[cH:23][cH:24][cH:25][cH:26]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 12482984Diethyl (2-aminophenyl)phosphonateHCID 232979835-Bromomethyl-7-nitro-2,3-dimethoxyquinoxaline

Product 1

HCID 23297993Diethyl N-(2,3-dimethoxy-7-nitroquinoxalin-5-ylmethyl)-2-aminophenylphosphonate

Sources & evidence

ORD record
ord-dc8219f707bb495a95bc2d52a00cabcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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