Dimethyl Sulfoxide → 2-[[4-(2,3-Dimethylphenyl)piperazin-1-yl]methyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline

HRID 311311

Reaction equation

HRID 311311 reaction equation
[Br:15][c:16]1[cH:17][cH:18][c:19]([S:20]([O:21][CH2:26][CH:27]2[CH2:28][O:29][c:30]3[c:31]([c:32]4[cH:33][cH:34][c:35]([CH3:40])[n:36][c:37]4[cH:38][cH:39]3)[O:41]2)(=[O:22])=[O:23])[cH:24][cH:25]1.[C:46](=[O:47])([OH:48])[O-:49].[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][c:7]1[CH3:8].[CH3:42][S:43]([CH3:44])=[O:45].[Na+:50]>>[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([CH2:26][CH:27]3[CH2:28][O:29][c:30]4[c:31]([c:32]5[cH:33][cH:34][c:35]([CH3:40])[n:36][c:37]5[cH:38][cH:39]4)[O:41]3)[CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][c:7]1[CH3:8]

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 705411-(2,3-Xylyl)piperazineHCID 21892070(8-Methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl 4-bromobenzenesulfonate

Product 1

HCID 104312852-[[4-(2,3-Dimethylphenyl)piperazin-1-yl]methyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline

Sources & evidence

ORD record
ord-f700d553c28647c0b546b3c3cfa61fe5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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