Sodium ion → HCID 12096249, compound

HRID 1138551Notes

Reaction equation

HRID 1138551 reaction equation
[CH3:1][C:2]([CH3:3])=[N:4][OH:5].[CH3:6][C:7]([CH3:8])([O-:9])[CH3:10].[F:12][c:13]1[c:14]([C:55]#[N:56])[cH:15][c:16](-[n:19]2[n:20][c:21]([C:51]([F:52])([F:53])[F:54])[cH:22][c:23]2[C:24](=[O:25])[NH:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[cH:34][cH:35][cH:36][c:37]4[c:41]3[S:40](=[O:42])(=[O:43])[N:39]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:38]4)[cH:31][cH:32]2)[cH:17][cH:18]1.[Na+:11].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[CH3:1][C:2]([CH3:3])=[N:4][O:5][c:13]1[c:14]([C:55]#[N:56])[cH:15][c:16](-[n:19]2[n:20][c:21]([C:51]([F:52])([F:53])[F:54])[cH:22][c:23]2[C:24](=[O:25])[NH:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[cH:34][cH:35][cH:36][c:37]4[c:41]3[S:40](=[O:42])(=[O:43])[N:39]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:38]4)[cH:31][cH:32]2)[cH:17][cH:18]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 67180Acetone, oximeHCID 45749132-Methylpropan-2-olateHCID 12096248HCID 12096248, compound

Product 1

HCID 12096249HCID 12096249, compound

Sources & evidence

ORD record
ord-d1982067f6964d2390cc2f4b70b3200f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…