Sodium ion → 4-[2-Chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methyl-morpholine

HRID 2347639Notes

Reaction equation

HRID 2347639 reaction equation
[CH3:1][S-:2].[CH3:42][C:43]#[N:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH3:4][S:5]([O:6][CH2:9][c:10]1[n:11][c:12]([Cl:23])[n:13][c:14]([N:16]2[CH:17]([CH3:22])[CH2:18][O:19][CH2:20][CH2:21]2)[cH:15]1)(=[O:7])=[O:8].[Cl:24][c:25]1[n:26][c:27]([N:28]2[CH2:29][CH2:30][O:31][CH2:32][CH:33]2[CH3:34])[cH:35][c:36]([CH2:37][Cl:38])[n:39]1.[I-:41].[Na+:3].[Na+:40]>>[CH3:1][S:2][CH2:9][c:10]1[n:11][c:12]([Cl:23])[n:13][c:14]([N:16]2[CH:17]([CH3:22])[CH2:18][O:19][CH2:20][CH2:21]2)[cH:15]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 30165Iodide IonHCID 519392MercaptomethanideHCID 72282494[2-Chloro-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]methyl methanesulfonateHCID 765616834-[2-Chloro-6-(chloromethyl)pyrimidin-4-yl]-3-methylmorpholine

Product 1

HCID 885452564-[2-Chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methyl-morpholine

Sources & evidence

ORD record
ord-0d9fa70800674f30b1508a82a672bb45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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