Sodium ion → HCID 178489713, compound

HRID 1113014Notes

Reaction equation

HRID 1113014 reaction equation
[Br:1][c:2]1[c:3]([CH:9]2[CH2:10][c:11]3[n:12][c:13]([NH2:28])[n:14][c:15]([CH3:27])[c:16]3[C:17]([NH:19][O:20][CH:21]3[O:22][CH2:23][CH2:24][CH2:25][CH2:26]3)=[N:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[CH3:29][O:30][c:31]1[cH:32][cH:33][cH:34][c:35]([B:37]2[O:38][CH2:39][CH2:40][N:41]([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:48][CH2:49][O:50]2)[n:36]1.[CH3:57][N:58]([CH3:59])[C:60](=[O:61])[CH3:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56]>>[c:2]1(-[c:35]2[cH:34][cH:33][cH:32][c:31]([O:30][CH3:29])[n:36]2)[c:3]([CH:9]2[CH2:10][c:11]3[n:12][c:13]([NH2:28])[n:14][c:15]([CH3:27])[c:16]3[C:17]([NH:19][O:20][CH:21]3[O:22][CH2:23][CH2:24][CH2:25][CH2:26]3)=[N:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 162178652-(6-Methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocaneHCID 178433340HCID 178433340, compound

Product 1

HCID 178489713HCID 178489713, compound

Sources & evidence

ORD record
ord-d87e983d61e746d29de19519a0add91d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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