Water → HCID 178500519, compound

HRID 1556874Notes

Reaction equation

[C:19](#[CH:20])[c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cu:54][I:55].[I:1][n:2]1[cH:3][n:4][c:5]2[n:11][c:10]([NH:12][C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[cH:9][c:6]-2[c:7]1[OH:8].[OH2:48]>>[n:2]1([C:20]#[C:19][c:21]2[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]2)[cH:3][n:4][c:5]2[n:11][c:10]([NH:12][C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[cH:9][c:6]-2[c:7]1[OH:8]

Participants

Reactant 6

HCID 962Water

HCID 6228Dimethylformamide

HCID 8471Triethylamine

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

HCID 150241991,5-Dimethyl 2-[(4-ethynylphenyl)formamido]pentanedioate

HCID 178418587HCID 178418587, compound

Product 1

HCID 178500519HCID 178500519, compound

Sources & evidence

ORD record: ord-1a8ebbca8614492eb18a133cf24f2a7d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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