Triethylamine → Methyl 4-acetylamino-5-bromo-3-(3,3-dimethyl-1-butynyl)salicylate

HRID 147918

Reaction equation

HRID 147918 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([I:17])[c:7]([OH:16])[c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13][c:14]1[Br:15].[CH3:18][C:19]([C:20]#[CH:21])([CH3:22])[CH3:23].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cu:31][I:32].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([C:21]#[C:20][C:19]([CH3:18])([CH3:22])[CH3:23])[c:7]([OH:16])[c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13][c:14]1[Br:15]

Participants

6

Reactant 5

HCID 8471TriethylamineHCID 135123,3-Dimethyl-1-butyneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 86097515Methyl 4-acetylamino-5-bromo-3-iodosalicylate

Product 1

HCID 86630872Methyl 4-acetylamino-5-bromo-3-(3,3-dimethyl-1-butynyl)salicylate

Sources & evidence

ORD record
ord-a37238bd5d35434987efa02786a05b97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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