Dimethylformamide → Lxr-623

HRID 1130199Notes

Reaction equation

HRID 1130199 reaction equation
[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[Cl:21][c:22]1[c:23]([CH2:24][Br:25])[cH:26][cH:27][c:28]([F:30])[cH:29]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][nH:10][c:11]3[c:12]([C:17]([F:18])([F:19])[F:20])[cH:13][cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:24][c:23]3[c:22]([Cl:21])[cH:29][c:28]([F:30])[cH:27][cH:26]3)[n:10][c:11]3[c:12]([C:17]([F:18])([F:19])[F:20])[cH:13][cH:14][cH:15][c:16]23)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 27250621-(Bromomethyl)-2-chloro-4-fluorobenzeneHCID 178505585HCID 178505585, compound

Product 1

HCID 16734800Lxr-623

Sources & evidence

ORD record
ord-28a60bf74019452c989d6e7c18a07a29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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