Tetrahydrofuran → 5-[5-(4-Chloro-phenyl)-pyridin-2-ylethynyl]-2-pyrrolidin-1-ylmethyl-benzoxazole

HRID 290746Notes

Reaction equation

HRID 290746 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[Cl:17][c:18]1[cH:19][cH:20][c:21](-[c:24]2[cH:25][cH:26][c:27]([C:30]#[CH:31])[n:28][cH:29]2)[cH:22][cH:23]1.[Cs+:36].[Cs+:37].[Cu:43][I:44].[I:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7][c:8]([CH2:10][N:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)[o:9]2)[cH:16]1>>[c:2]1([C:31]#[C:30][c:27]2[cH:26][cH:25][c:24](-[c:21]3[cH:20][cH:19][c:18]([Cl:17])[cH:23][cH:22]3)[cH:29][n:28]2)[cH:3][cH:4][c:5]2[c:6]([n:7][c:8]([CH2:10][N:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)[o:9]2)[cH:16]1

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 104967Cesium cation2×HCID 578453285-(4-Chloro-phenyl)-2-ethynyl-pyridineHCID 690723805-Iodo-2-pyrrolidin-1-ylmethyl-benzoxazole

Product 1

HCID 598359025-[5-(4-Chloro-phenyl)-pyridin-2-ylethynyl]-2-pyrrolidin-1-ylmethyl-benzoxazole

Sources & evidence

ORD record
ord-c0502d33167d4d0f9a67aee40c2805b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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