Ammonium → HCID 13119616, compound

HRID 691678Notes

Reaction equation

HRID 691678 reaction equation
[CH3:27][CH2:28][OH:29].[CH3:2][CH:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[C:9](=[O:10])[O:11][CH2:12][CH3:13].[Cl-:25].[N+:14](=[O:15])([O-:16])[c:17]1[cH:18][c:19]([CH2:20][Cl:21])[cH:22][cH:23][cH:24]1.[NH4+:26].[Na:1]>>[CH3:2][C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:20][c:19]1[cH:18][c:17]([N+:14](=[O:15])[O-:16])[cH:24][cH:23][cH:22]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 11857Diethyl methylmalonateHCID 12078alpha-Chloro-m-nitrotolueneHCID 5360545Sodium

Product 1

HCID 13119616HCID 13119616, compound

Sources & evidence

ORD record
ord-690f7093ddec49ff8e4a8bf5d5df3030
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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