Dimethyl Sulfoxide → Gsk-189254

HRID 125516Notes

Reaction equation

HRID 125516 reaction equation
[CH3:30][S:31](=[O:32])[CH3:33].[CH:3]1([N:7]2[CH2:8][CH2:9][c:10]3[c:11]([cH:14][c:15]([OH:18])[cH:16][cH:17]3)[CH2:12][CH2:13]2)[CH2:4][CH2:5][CH2:6]1.[Cl:19][c:20]1[n:21][cH:22][c:23]([C:24](=[O:25])[NH:26][CH3:27])[cH:28][cH:29]1.[H-:1].[Na+:2]>>[CH:3]1([N:7]2[CH2:8][CH2:9][c:10]3[c:11]([cH:14][c:15]([O:18][c:20]4[n:21][cH:22][c:23]([C:24](=[O:25])[NH:26][CH3:27])[cH:28][cH:29]4)[cH:16][cH:17]3)[CH2:12][CH2:13]2)[CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 166653HydrideHCID 100820813-Cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[D]azepin-7-OLHCID 123642306-Chloro-N-methylnicotinamide

Product 1

HCID 9798547Gsk-189254

Sources & evidence

ORD record
ord-876b1bc62c0f481bbd86534db63f1132
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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