proline dl-form → isopropyl 4-(6,7-dihydro-7-(4-(methylsulfonyl)phenyl)-5H-pyrrolo[2,3-d]pyrimidin-4-yloxy)piperidine-1-carboxylate

HRID 213551Notes

Reaction equation

HRID 213551 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][c:11]3[c:12]2[n:13][cH:14][n:15][c:16]3[O:17][CH:18]2[CH2:19][CH2:20][N:21]([C:24](=[O:25])[O:26][CH:27]([CH3:28])[CH3:29])[CH2:22][CH2:23]2)[cH:6][cH:7]1.[CH3:30][S:31](=[O:32])[O-:33].[CH3:48][S:49]([CH3:50])=[O:51].[Cu:45]([I:46])[I:47].[Na+:34].[Na+:44].[OH-:43].[OH:35][C:36]([CH:37]1[NH:38][CH2:39][CH2:40][CH2:41]1)=[O:42]>>[c:2]1([S:31]([CH3:30])(=[O:32])=[O:33])[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][c:11]3[c:12]2[n:13][cH:14][n:15][c:16]3[O:17][CH:18]2[CH2:19][CH2:20][N:21]([C:24](=[O:25])[O:26][CH:27]([CH3:28])[CH3:29])[CH2:22][CH2:23]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 614proline dl-formHCID 679Dimethyl SulfoxideHCID 923Sodium ion2×HCID 961HydroxideHCID 83717Copper iodideHCID 3870744MethanesulfinateHCID 69062843Propan-2-yl 4-[[7-(4-bromophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate

Product 1

HCID 24897242isopropyl 4-(6,7-dihydro-7-(4-(methylsulfonyl)phenyl)-5H-pyrrolo[2,3-d]pyrimidin-4-yloxy)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-1f80f5c47cd0405188c41522a02db41c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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