Sodium ion → HCID 90911364, compound

HRID 676257Notes

Reaction equation

HRID 676257 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:42][c:43]1[n:44][cH:45][c:46]([C:47]#[N:48])[cH:49][cH:50]1.[Na+:5].[Na+:6].[OH2:51].[OH:7][C:8]([CH2:9][C:10]1([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:11][CH2:12][N:13]([CH:17]([CH3:18])[c:19]2[cH:20][cH:21][c:22]([B:25]3[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]3)[cH:23][cH:24]2)[C:14](=[O:16])[O:15]1)([CH3:40])[CH3:41]>>[OH:7][C:8]([CH2:9][C:10]1([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:11][CH2:12][N:13]([CH:17]([CH3:18])[c:19]2[cH:20][cH:21][c:22](-[c:43]3[n:44][cH:45][c:46]([C:47]#[N:48])[cH:49][cH:50]3)[cH:23][cH:24]2)[C:14](=[O:16])[O:15]1)([CH3:40])[CH3:41]

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 51520946-Chloro-3-pyridinecarbonitrileHCID 670197526-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one

Product 1

HCID 90911364HCID 90911364, compound

Sources & evidence

ORD record
ord-5f61b7b917de41e797b3787f3a77dcce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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