Benzoic Acid → HCID 22568977, compound

HRID 2313044Notes

Reaction equation

HRID 2313044 reaction equation
[C:18]([OH:19])(=[O:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH2:1]([CH3:2])[O:3][C:4]1([c:7]2[c:8]([CH:15]([CH3:16])[CH3:17])[cH:9][c:10]([C:13]#[CH:14])[cH:11][cH:12]2)[CH2:5][CH2:6]1.[CH2:27]([CH3:28])[O:29][C:30]([c:31]1[cH:32][cH:33][c:34]([I:37])[cH:35][cH:36]1)=[O:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cu:46][I:47]>>[CH2:1]([CH3:2])[O:3][C:4]1([c:7]2[c:8]([CH:15]([CH3:16])[CH3:17])[cH:9][c:10]([C:13]#[C:14][c:34]3[cH:33][cH:32][c:31]([C:30]([O:29][CH2:27][CH3:28])=[O:38])[cH:36][cH:35]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 142891Ethyl 4-iodobenzoateHCID 22568938HCID 22568938, compound

Product 1

HCID 22568977HCID 22568977, compound

Sources & evidence

ORD record
ord-6a24824f5e574f959637579ed93f179e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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