Benzoic Acid → HCID 22568835, compound

HRID 184406Notes

Reaction equation

HRID 184406 reaction equation
[C:27]([OH:28])(=[O:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]1([c:12]2[cH:13][cH:14][c:15]([C:18]#[CH:19])[cH:16][cH:17]2)[CH2:10][CH2:11]1)[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH2:36]([CH3:37])[O:38][C:39]([c:40]1[cH:41][cH:42][c:43]([I:46])[cH:44][cH:45]1)=[O:47].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cu:55][I:56]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]1([c:12]2[cH:13][cH:14][c:15]([C:18]#[C:19][c:43]3[cH:42][cH:41][c:40]([C:39]([O:38][CH2:36][CH3:37])=[O:47])[cH:45][cH:44]3)[cH:16][cH:17]2)[CH2:10][CH2:11]1)[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 142891Ethyl 4-iodobenzoateHCID 22568868HCID 22568868, compound

Product 1

HCID 22568835HCID 22568835, compound

Sources & evidence

ORD record
ord-564765c412da418ba82f661b6254e777
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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