Sodium ion → HCID 66742925, compound

HRID 1224873Notes

Reaction equation

HRID 1224873 reaction equation
[C:22]([CH3:23])(=[O:24])[O:25][CH2:26][c:27]1[c:28](-[n:42]2[c:43](=[O:57])[c:44]3[c:45]([F:56])[cH:46][c:47]([C:52]([CH3:53])([CH3:54])[CH3:55])[cH:48][c:49]3[cH:50][n:51]2)[cH:29][cH:30][cH:31][c:32]1[B:33]1[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]1.[C:58](=[O:59])([O-:60])[O-:61].[Cl:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([C:15](=[O:16])[N:17]([CH3:18])[CH3:19])[cH:20][cH:21]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1.[Cl:71][CH2:72][Cl:73].[Cs+:62].[Cs+:63].[Na+:64].[Na+:65].[O-:66][S:67]([O-:68])(=[O:69])=[O:70].[O:75]1[CH2:76][CH2:77][O:78][CH2:79][CH2:80]1.[OH2:74]>>[c:2]1(-[c:32]2[c:27]([CH2:26][O:25][C:22]([CH3:23])=[O:24])[c:28](-[n:42]3[c:43](=[O:57])[c:44]4[c:45]([F:56])[cH:46][c:47]([C:52]([CH3:53])([CH3:54])[CH3:55])[cH:48][c:49]4[cH:50][n:51]3)[cH:29][cH:30][cH:31]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([C:15](=[O:16])[N:17]([CH3:18])[CH3:19])[cH:20][cH:21]2)[c:5](=[O:9])[n:6]([CH3:8])[n:7]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 962WaterHCID 1117Sulfate IonHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 594737692-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetateHCID 66742180HCID 66742180, compound

Product 1

HCID 66742925HCID 66742925, compound

Sources & evidence

ORD record
ord-ca6dc464c7a44de497ee9555eb26a8a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…