Water → Methyl 4-(2-amino-5-nitrophenyl)-2,2-dimethylbut-3-ynoate

HRID 1205729Notes

Reaction equation

HRID 1205729 reaction equation
[Br:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([N+:9](=[O:10])[O-:11])[cH:8]1.[CH3:12][C:13]([C:14](=[O:15])[O:16][CH3:17])([C:18]#[CH:19])[CH3:20].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cu:36][I:37].[OH2:35]>>[c:2]1([C:19]#[C:18][C:13]([CH3:12])([C:14](=[O:15])[O:16][CH3:17])[CH3:20])[c:3]([NH2:4])[cH:5][cH:6][c:7]([N+:9](=[O:10])[O-:11])[cH:8]1

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 25840Benzenamine, 2-bromo-4-nitro-HCID 15186997Methyl 2,2-dimethylbut-3-ynoate

Product 1

HCID 59129298Methyl 4-(2-amino-5-nitrophenyl)-2,2-dimethylbut-3-ynoate

Sources & evidence

ORD record
ord-2a98745853db4854955fd5aa0ad26091
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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