Benzoic Acid → HCID 22568859, compound

HRID 151568Notes

Reaction equation

HRID 151568 reaction equation
[C:17]([OH:18])(=[O:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH2:26]([CH3:27])[O:28][C:29]([c:30]1[cH:31][cH:32][c:33]([I:36])[cH:34][cH:35]1)=[O:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH:1]1([N:4]([CH2:5][c:6]2[c:7]([CH3:14])[cH:8][c:9]([C:12]#[CH:13])[cH:10][cH:11]2)[CH2:15][CH3:16])[CH2:2][CH2:3]1.[Cu:45][I:46]>>[CH:1]1([N:4]([CH2:5][c:6]2[c:7]([CH3:14])[cH:8][c:9]([C:12]#[C:13][c:33]3[cH:32][cH:31][c:30]([C:29]([O:28][CH2:26][CH3:27])=[O:37])[cH:35][cH:34]3)[cH:10][cH:11]2)[CH2:15][CH3:16])[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 142891Ethyl 4-iodobenzoateHCID 22568991HCID 22568991, compound

Product 1

HCID 22568859HCID 22568859, compound

Sources & evidence

ORD record
ord-f85fa294affc41ed9e0097c50fb2db2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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