Sodium ion → HCID 44234537, compound

HRID 313061Notes

Reaction equation

HRID 313061 reaction equation
[Br:24][c:25]1[c:26](=[O:43])[n:27]([CH3:42])[c:28]2[c:29]([n:30]1)[cH:31][n:32][n:33]2-[c:34]1[c:35]([F:41])[cH:36][cH:37][cH:38][c:39]1[F:40].[C:50](=[O:51])([O-:52])[O-:53].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:22])[c:9]([CH3:21])[c:10]([B:12]3[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]3)[cH:11]2)=[O:23])[CH2:2][CH2:3]1.[Na+:54].[Na+:55].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:22])[c:9]([CH3:21])[c:10](-[c:25]3[c:26](=[O:43])[n:27]([CH3:42])[c:28]4[c:29]([n:30]3)[cH:31][n:32][n:33]4-[c:34]3[c:35]([F:41])[cH:36][cH:37][cH:38][c:39]3[F:40])[cH:11]2)=[O:23])[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 21914563N-cyclopropyl-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 67197573HCID 67197573, compound

Product 1

HCID 44234537HCID 44234537, compound

Sources & evidence

ORD record
ord-301c2c3974584af7896edac4804e83f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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