4-Ethynylaniline → 2-(4-Amino-phenylethynyl)-3,5-dimethyl-3H-imidazole-4-carboxylic acid ethyl ester

HRID 198245

Reaction equation

HRID 198245 reaction equation
[C:14](#[CH:15])[c:16]1[cH:17][cH:18][c:19]([NH2:20])[cH:21][cH:22]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH3:13])[c:8]([Br:12])[n:9][c:10]1[CH3:11]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH3:13])[c:8]([C:15]#[C:14][c:16]2[cH:17][cH:18][c:19]([NH2:20])[cH:21][cH:22]2)[n:9][c:10]1[CH3:11]

Participants

3

Reactant 2

HCID 37600254-EthynylanilineHCID 13897513ethyl 2-bromo-1,4-dimethyl-1H-imidazole-5-carboxylate

Product 1

HCID 98354742-(4-Amino-phenylethynyl)-3,5-dimethyl-3H-imidazole-4-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-d0b0a980329b4d41bcea48916d7e7d62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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