Water → HCID 87262885, compound

HRID 1572484Notes

Reaction equation

HRID 1572484 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[Cl:20][c:21]1[c:22]([F:31])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1.[Cs+:36].[Cs+:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43].[OH:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]([CH2:17][C:18]#[N:19])[CH2:10][CH:11]([C:13]([F:14])([F:15])[F:16])[CH2:12]2)[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]([CH2:17][C:18]#[N:19])[CH2:10][CH:11]([C:13]([F:14])([F:15])[F:16])[CH2:12]2)[cH:6][cH:7]1)[c:22]1[c:21]([Cl:20])[cH:26][c:25]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:23]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 157153Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-HCID 67085724HCID 67085724, compound

Product 1

HCID 87262885HCID 87262885, compound

Sources & evidence

ORD record
ord-b06e6e0df2d8408fb35a9fc1be73f0f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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