Chloride → 6-[2-(2-Chloro-4-methoxy-phenyl)-acetyl]-4-ethyl-4H-benzo[1,4]oxazin-3-one

HRID 1127121Notes

Reaction equation

HRID 1127121 reaction equation
[Al+3:15].[Cl-:14].[Cl-:16].[Cl-:17].[Cl:18][c:19]1[cH:20][c:21](-[c:22]2[cH:23][cH:24][c:25]([CH:26]([CH3:27])[C:28]([OH:29])([C:30]([F:31])([F:32])[F:33])[c:41]3[cH:42][cH:43][c:44]4[c:45]([cH:53]3)[N:46]([CH2:51][CH3:52])[C:47](=[O:50])[CH2:48][O:49]4)[c:34]([Cl:35])[cH:36]2)[cH:37][cH:38][c:39]1[C:40]([OH:54])=[O:55].[Cl:1][c:2]1[c:3]([CH2:10][C:11](=[O:12])[Cl:13])[cH:4][cH:5][c:6]([O:8][CH3:9])[cH:7]1>>[Cl:1][c:2]1[c:3]([CH2:10][C:11](=[O:12])[c:41]2[cH:42][cH:43][c:44]3[c:45]([cH:53]2)[N:46]([CH2:51][CH3:52])[C:47](=[O:50])[CH2:48][O:49]3)[cH:4][cH:5][c:6]([O:8][CH3:9])[cH:7]1

Participants

5

Reactant 4

HCID 312Chloride3×HCID 104727Aluminum CationHCID 22327520(2-Chloro-4-methoxyphenyl)acetyl chlorideHCID 666973323,3'-Dichloro-4'-[2-(4-ethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-biphenyl-4-carboxylic acid

Product 1

HCID 666972646-[2-(2-Chloro-4-methoxy-phenyl)-acetyl]-4-ethyl-4H-benzo[1,4]oxazin-3-one

Sources & evidence

ORD record
ord-3d07df94ff5646f89f726cdcf32b5b02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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