Water → HCID 86645884, compound

HRID 2147850Notes

Reaction equation

HRID 2147850 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[Cs+:46].[Cs+:47].[F:29][c:30]1[cH:31][c:32]([C:38]([F:39])([F:40])[F:41])[c:33]([CH:34]=[O:35])[cH:36][cH:37]1.[OH2:48]>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][cH:5][c:6]([O:8][c:30]2[cH:31][c:32]([C:38]([F:39])([F:40])[F:41])[c:33]([CH:34]=[O:35])[cH:36][cH:37]2)[cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 5229404-Fluoro-2-(trifluoromethyl)benzaldehydeHCID 666972396-[(2-chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

Product 1

HCID 86645884HCID 86645884, compound

Sources & evidence

ORD record
ord-4f75e4f5b93a4537b48a3c7213947fd1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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