Dimethyl Sulfoxide → (+)-4-Hydroxy-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4'-carboxylic acid (7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-amide

HRID 663628Notes

Reaction equation

HRID 663628 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[s:9][c:10]3[c:11]([n:12]2)[c:13]([O:23][CH3:24])[cH:14][cH:15][c:16]3[CH:17]2[O:18][CH2:19][CH2:20][O:21][CH2:22]2)[cH:25][cH:26][n:27]1.[C:28](=[O:29])([O-:30])[O-:31].[CH3:41][S:42]([CH3:43])=[O:44].[Cs+:32].[Cs+:33].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH:34][CH:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1>>[c:2]1([N:38]2[CH2:37][CH2:36][CH:35]([OH:34])[CH2:40][CH2:39]2)[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[s:9][c:10]3[c:11]([n:12]2)[c:13]([O:23][CH3:24])[cH:14][cH:15][c:16]3[CH:17]2[O:18][CH2:19][CH2:20][O:21][CH2:22]2)[cH:25][cH:26][n:27]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 79341Piperidin-4-olHCID 104967Cesium cation2×HCID 22507693(+)-2-bromo-N-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-isonicotinamide

Product 1

HCID 86594654(+)-4-Hydroxy-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4'-carboxylic acid (7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-amide

Sources & evidence

ORD record
ord-9fcb2afcd1ed47beb465f28642555918
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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