N,N-Dimethylglycine → [2-Nitro-4-(3-nitro-phenoxy)-phenyl]-acetic acid ethyl ester

HRID 1214030

Reaction equation

HRID 1214030 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH2:11]([CH3:12])[O:13][C:14]([CH2:15][c:16]1[c:17]([N+:23](=[O:24])[O-:25])[cH:18][c:19]([Br:22])[cH:20][cH:21]1)=[O:26].[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:27][N:28]([CH2:29][C:30](=[O:31])[OH:32])[CH3:33].[Cs+:38].[Cs+:39].[Cu:47]([I:48])[I:49].[OH2:46].[OH:1][c:2]1[cH:3][cH:4][cH:5][c:6]([N+:8]([O-:9])=[O:10])[cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][c:6]([N+:8]([O-:9])=[O:10])[cH:7]1)[c:19]1[cH:18][c:17]([N+:23](=[O:24])[O-:25])[c:16]([CH2:15][C:14]([O:13][CH2:11][CH3:12])=[O:26])[cH:21][cH:20]1

Participants

9

Reactant 8

HCID 673N,N-DimethylglycineHCID 962WaterHCID 111373-NitrophenolHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 83717Copper iodideHCID 104967Cesium cation2×HCID 23247724Ethyl 2-(4-bromo-2-nitrophenyl)acetate

Product 1

HCID 59804301[2-Nitro-4-(3-nitro-phenoxy)-phenyl]-acetic acid ethyl ester

Sources & evidence

ORD record
ord-16ec13f4f7014224a0031a2a15241f6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

Loading…