Water → HCID 22050268, compound

HRID 1226474Notes

Reaction equation

HRID 1226474 reaction equation
[Br:1][c:2]1[c:3](=[O:19])[nH:4][c:5]([CH3:18])[cH:6][c:7]1[O:8][CH2:9][c:10]1[c:11]([F:17])[cH:12][c:13]([F:16])[cH:14][cH:15]1.[C:20](=[O:21])([O-:22])[O-:23].[C:39](#[N:40])[CH3:41].[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:26][c:27]1[n:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]1.[Cs+:24].[Cs+:25].[OH2:38].[OH2:55]>>[Br:1][c:2]1[c:3](=[O:19])[n:4](-[c:27]2[n:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]2)[c:5]([CH3:18])[cH:6][c:7]1[O:8][CH2:9][c:10]1[c:11]([F:17])[cH:12][c:13]([F:16])[cH:14][cH:15]1

Participants

9

Reactant 8

HCID 962Water2×HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2799611Ethyl 6-chloronicotinateHCID 220504293-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one

Product 1

HCID 22050268HCID 22050268, compound

Sources & evidence

ORD record
ord-a83d147b29e3473da71281d4374d9850
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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