Acetonitrile → HCID 57709096, compound

HRID 2144809

Reaction equation

HRID 2144809 reaction equation
[C:45](#[CH:46])[C:47]1([OH:52])[CH2:48][CH2:49][CH2:50][CH2:51]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:53][C:54]#[N:55].[CH3:8][O:9][C:10]([CH2:11][c:12]1[cH:13][n:14][cH:15][c:16](-[c:18]2[cH:19][cH:20][c:21]([C:24]([CH2:25][CH3:26])([c:27]3[cH:28][c:29]([CH3:41])[c:30]([O:33][S:34]([C:35]([F:36])([F:37])[F:38])(=[O:39])=[O:40])[cH:31][cH:32]3)[CH2:42][CH3:43])[cH:22][cH:23]2)[cH:17]1)=[O:44].[Cu:56][I:57]>>[CH3:8][O:9][C:10]([CH2:11][c:12]1[cH:13][n:14][cH:15][c:16](-[c:18]2[cH:19][cH:20][c:21]([C:24]([CH2:25][CH3:26])([c:27]3[cH:28][c:29]([CH3:41])[c:30]([C:46]#[C:45][C:47]4([OH:52])[CH2:48][CH2:49][CH2:50][CH2:51]4)[cH:31][cH:32]3)[CH2:42][CH3:43])[cH:22][cH:23]2)[cH:17]1)=[O:44]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 870741-EthynylcyclopentanolHCID 57709113(5-{4-[1-Ethyl-1-(3-methyl-4-trifluoromethanesulfonyloxy-phenyl)-propyl]-phenyl}-pyridin-3-yl)-acetic acid methyl ester

Product 1

HCID 57709096HCID 57709096, compound

Sources & evidence

ORD record
ord-427fa9b704eb42089117fee8d68fbb90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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