Chloride → HCID 66697375, compound

HRID 689745Notes

Reaction equation

HRID 689745 reaction equation
[Al+3:27].[Br:1][c:2]1[cH:3][c:4]([Cl:12])[c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1.[CH3:14][N:15]1[C:16](=[O:25])[CH2:17][O:18][c:19]2[c:20]1[cH:21][cH:22][cH:23][cH:24]2.[Cl-:13].[Cl-:26].[Cl-:28].[Cl-:29]>>[Br:1][c:2]1[cH:3][c:4]([Cl:12])[c:5]([CH2:8][C:9](=[O:11])[c:22]2[cH:21][c:20]3[c:19]([cH:24][cH:23]2)[O:18][CH2:17][C:16](=[O:25])[N:15]3[CH3:14])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 312Chloride4×HCID 890322H-1,4-Benzoxazin-3(4H)-one,4-methyl-HCID 104727Aluminum CationHCID 53403617(4-Bromo-2-chlorophenyl)acetic acid

Product 1

HCID 66697375HCID 66697375, compound

Sources & evidence

ORD record
ord-cd939d78bd784430a2e0f2755a42d965
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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