Acetonitrile → HCID 18362931, compound

HRID 665066Notes

Reaction equation

HRID 665066 reaction equation
[CH2:29]([CH2:30][CH2:31][C:32]#[CH:33])[OH:34].[CH3:35][C:36]#[N:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cu:51][I:52].[I:1][c:2]1[n:3]([CH2:18][c:19]2[cH:20][cH:21][cH:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[cH:4][c:5]2[n:6]([CH2:14][CH:15]([CH3:16])[CH3:17])[c:7](=[O:13])[n:8]([CH3:12])[c:9](=[O:11])[c:10]12>>[c:2]1([C:33]#[C:32][CH2:31][CH2:30][CH2:29][OH:34])[n:3]([CH2:18][c:19]2[cH:20][cH:21][cH:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[cH:4][c:5]2[n:6]([CH2:14][CH:15]([CH3:16])[CH3:17])[c:7](=[O:13])[n:8]([CH3:12])[c:9](=[O:11])[c:10]12

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 793464-Pentyn-1-olHCID 18362930HCID 18362930, compound

Product 1

HCID 18362931HCID 18362931, compound

Sources & evidence

ORD record
ord-c4e4702473484a92a54e664673a9c160
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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