Dimethyl Sulfoxide → 2-Chloro-4-(4-cyclopropyl-3-methyl-2,2-dioxo-1,2,3,4-tetrahydro-2-thia-3,6-diaza-naphthalen-8-yl)-benzonitrile

HRID 2322881Notes

Reaction equation

HRID 2322881 reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH3:38][S:39]([CH3:40])=[O:41].[Cl:1][c:2]1[c:3]([CH:17]([N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH3:23])[CH:24]2[CH2:25][CH2:26]2)[cH:4][n:5][cH:6][c:7]1-[c:8]1[cH:9][c:10]([Cl:16])[c:11]([C:14]#[N:15])[cH:12][cH:13]1.[K+:32]>>[c:2]12[c:3]([cH:4][n:5][cH:6][c:7]1-[c:8]1[cH:9][c:10]([Cl:16])[c:11]([C:14]#[N:15])[cH:12][cH:13]1)[CH:17]([CH:24]1[CH2:25][CH2:26]1)[N:18]([CH3:23])[S:19](=[O:20])(=[O:21])[CH2:22]2

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 59578406N-((4-chloro-5-(3-chloro-4-cyanophenyl)pyridin-3-yl)(cyclopropyl)methyl)-N-methylmethanesulfonamide

Product 1

HCID 498210552-Chloro-4-(4-cyclopropyl-3-methyl-2,2-dioxo-1,2,3,4-tetrahydro-2-thia-3,6-diaza-naphthalen-8-yl)-benzonitrile

Sources & evidence

ORD record
ord-256b740421e64a48ae156abae3d40518
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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