Dimethyl Sulfoxide → HCID 66747924, compound

HRID 1567046Notes

Reaction equation

HRID 1567046 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[C:47]([O:48][Cu:49][O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH3:42][S:43]([CH3:44])=[O:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[Cs+:40].[Cs+:41].[O:11]=[S:12]1(=[O:29])[N:13]=[C:14]2[N:15]([CH2:16][CH2:17]1)[CH2:18][CH2:19][CH2:20][CH:21]2[c:22]1[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]1.[OH2:46].[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:28][c:25]2[cH:24][cH:23][c:22]([CH:21]3[C:14]4=[N:13][S:12](=[O:11])(=[O:29])[CH2:17][CH2:16][N:15]4[CH2:18][CH2:19][CH2:20]3)[cH:27][cH:26]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 1049PyridineHCID 19660Carbonate IonHCID 742994-Chlorophenylboronic acidHCID 104967Cesium cation2×HCID 667477204-(2,2-Dioxido-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)phenolHCID 178476681HCID 178476681, compound

Product 1

HCID 66747924HCID 66747924, compound

Sources & evidence

ORD record
ord-d13cb7e7663d44f3b2383fcf9487313b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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