Chloride → Clobuzarit

HRID 2336529Notes

Reaction equation

HRID 2336529 reaction equation
[C:36]([Mg+:37])([CH3:38])([CH3:39])[CH3:40].[C:42]([Cl:43])([CH3:44])([CH3:45])[CH3:46].[Cl-:35].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH:12]=[O:13])[cH:14][cH:15]2)[cH:6][cH:7]1.[Cl:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[ClH:47].[Mg:41].[OH2:23].[OH2:55].[OH:16][C:17]([C:18](=[O:19])[OH:20])([CH3:21])[CH3:22].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH2:12][O:13][C:17]([C:18](=[O:19])[OH:20])([CH3:21])[CH3:22])[cH:14][cH:15]2)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 962Water2×HCID 6101p-Toluenesulfonic acidHCID 7964ChlorobenzeneHCID 10486tert-BUTYL CHLORIDEHCID 116712-Hydroxyisobutyric acidHCID 5925704'-Chloro[1,1'-biphenyl]-4-carbaldehydeHCID 5462224MagnesiumHCID 178448412HCID 178448412, compound

Product 1

HCID 71697Clobuzarit

Sources & evidence

ORD record
ord-a7e62f27b88e47de95a51302d45d7aaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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