Dimethyl Sulfoxide → 2-[4-(4-Methylhexahydro-1,4-diazepin-1-yl)-benzylamino]-N-(5-chloropyridin-2-yl)pyridine-3-carboxamide

HRID 90923Notes

Reaction equation

HRID 90923 reaction equation
[CH3:18][N:19]1[CH2:20][CH2:21][N:22]([c:26]2[cH:27][cH:28][c:29]([CH2:30][NH2:31])[cH:32][cH:33]2)[CH2:23][CH2:24][CH2:25]1.[CH3:36][S:37]([CH3:38])=[O:39].[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[C:8](=[O:9])[NH:10][c:11]1[n:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1.[Na+:35].[OH-:34].[OH2:40]>>[c:2]1([NH:31][CH2:30][c:29]2[cH:28][cH:27][c:26]([N:22]3[CH2:21][CH2:20][N:19]([CH3:18])[CH2:25][CH2:24][CH2:23]3)[cH:33][cH:32]2)[n:3][cH:4][cH:5][cH:6][c:7]1[C:8](=[O:9])[NH:10][c:11]1[n:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 34211092-Chloro-N-(5-chloro-2-pyridinyl)-3-pyridinecarboxamideHCID 185259054-(4-Methyl-1,4-diazepan-1-yl)benzylamine

Product 1

HCID 210753052-[4-(4-Methylhexahydro-1,4-diazepin-1-yl)-benzylamino]-N-(5-chloropyridin-2-yl)pyridine-3-carboxamide

Sources & evidence

ORD record
ord-7fa07386f419411cbd438f75d2df03b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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