Water → 4-(3-Cyclopentyloxy-4-methoxyphenyl)-4-(4-pyridylethynyl)-1,1-(ethylenedioxy)cyclohexane

HRID 1142582Notes

Reaction equation

HRID 1142582 reaction equation
[Br:27][c:28]1[cH:29][cH:30][n:31][cH:32][cH:33]1.[CH2:54]1[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]1.[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[CH:26])[CH2:16][CH2:17][C:18]4([CH2:19][CH2:20]3)[O:21][CH2:22][CH2:23][O:24]4)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cu:60][I:61].[OH2:53].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[C:26][c:28]4[cH:29][cH:30][n:31][cH:32][cH:33]4)[CH2:16][CH2:17][C:18]4([CH2:19][CH2:20]3)[O:21][CH2:22][CH2:23][O:24]4)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 962WaterHCID 8082PiperidineHCID 11776TriphenylphosphineHCID 142684-BromopyridineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 110895964-(3-Cyclopentyloxy-4-methoxyphenyl)-1,1-(ethylenedioxy)-4-ethynylcyclohexane

Product 1

HCID 544017964-(3-Cyclopentyloxy-4-methoxyphenyl)-4-(4-pyridylethynyl)-1,1-(ethylenedioxy)cyclohexane

Sources & evidence

ORD record
ord-87b3df4a477d46a28688181ad8cdd253
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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