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Acetic Acid → Dimethyl N-(2,3-dimethoxy-7-nitroquinoxalin-5-ylmethyl)-beta-aminopropylphosphonate

HRID 1139298
Notes
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Reaction equation

HRID 1139298 reaction equation
[C:36]([BH3-:37])#[N:38].[CH3:43][C:44](=[O:45])[OH:46].[CH3:47][OH:48].[Cl:40][CH2:41][Cl:42].[Mg+2:20].[NH2:1][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.[Na+:39].[O-:21][S:22](=[O:23])(=[O:24])[O-:25].[O:26]=[C:27]([CH2:28][P:29]([O:30][CH3:31])([O:32][CH3:33])=[O:34])[CH3:35]>>[NH: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)[CH:27]([CH2:28][P:29]([O:30][CH3:31])([O:32][CH3:33])=[O:34])[CH3:35]
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 887MethanolHCID 888Magnesium CationHCID 923Sodium IonHCID 1117Sulfate IonHCID 6344DichloromethaneHCID 77872Dimethyl (2-oxopropyl)phosphonate
HCID 498716
Cyano-borohydride
HCID 179152965-Aminomethyl-2,3-dimethoxy-7-nitro-quinoxaline

Product 1

HCID 23298051Dimethyl N-(2,3-dimethoxy-7-nitroquinoxalin-5-ylmethyl)-beta-aminopropylphosphonate

Sources & evidence

ORD record
ord-0541e580062f4dc39e855180c9573266
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes