Carbonate Ion → 3-[4-(2-Pyrrolidin-1-ylethyl)phenyl]propynoic acid-biphenyl-4-ylamide

HRID 176980Notes

Reaction equation

HRID 176980 reaction equation
[C:15](=[O:16])([O-:17])[O-:18].[Cs+:19].[Cs+:20].[Cu:38][I:39].[I:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7]1.[c:21]1(-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:22][cH:23][c:24]([NH:27][C:28]([C:29]#[CH:30])=[O:31])[cH:25][cH:26]1>>[c:2]1([C:30]#[C:29][C:28]([NH:27][c:24]2[cH:23][cH:22][c:21](-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:26][cH:25]2)=[O:31])[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 104967Cesium cation2×HCID 688158361-(4-Iodophenethyl)pyrrolidineHCID 86060713Propynoic acid-biphenyl-4-ylamide

Product 1

HCID 578457013-[4-(2-Pyrrolidin-1-ylethyl)phenyl]propynoic acid-biphenyl-4-ylamide

Sources & evidence

ORD record
ord-0d3e926ab96b450b944fd444f6cf40e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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