Benzoic Acid → HCID 22568880, compound

HRID 1238765Notes

Reaction equation

HRID 1238765 reaction equation
[C:20]([OH:21])(=[O:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH: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.[CH2:29]([CH3:30])[O:31][C:32]([c:33]1[cH:34][cH:35][c:36]([I:39])[cH:37][cH:38]1)=[O:40].[CH2:41]([N:42]([CH2:43][CH3:44])[CH2:45][CH3:46])[CH3:47].[Cu:48][I:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9]1([c:12]2[cH:13][cH:14][c:15]([C:18]#[C:19][c:36]3[cH:35][cH:34][c:33]([C:32]([O:31][CH2:29][CH3:30])=[O:40])[cH:38][cH:37]3)[cH:16][cH:17]2)[CH2:10][CH2:11]1

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 142891Ethyl 4-iodobenzoateHCID 22568836Benzyl-[1-(4-ethynylphenyl)-cyclopropyl]-amine

Product 1

HCID 22568880HCID 22568880, compound

Sources & evidence

ORD record
ord-159c36d3bf434adfa7c02c68a7c9018d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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