Sodium ion → HCID 22710697, compound

HRID 1542300Notes

Reaction equation

HRID 1542300 reaction equation
[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]3[CH2:16][CH2:17][NH:18][CH:19]=[C:20]3[C:21](=[O:22])[O:23][CH3:24])[cH:8][c:9]2[cH:10][cH:11]1.[H-:49].[Na+:50].[OH2:51].[n:25]1[cH:26][cH:27][c:28](-[c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[O:37][c:38]3[cH:39][cH:40][c:41]([N+:42]([O-:43])=[O:44])[cH:45][cH:46]3)[cH:47][cH:48]2)[cH:29][cH:30]1>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]3[CH2:16][CH2:17][N:18]([C:35]([c:34]4[cH:33][cH:32][c:31](-[c:28]5[cH:27][cH:26][n:25][cH:30][cH:29]5)[cH:48][cH:47]4)=[O:36])[CH:19]=[C:20]3[C:21](=[O:22])[O:23][CH3:24])[cH:8][c:9]2[cH:10][cH:11]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 22710404HCID 22710404, compoundHCID 22711147HCID 22711147, compound

Product 1

HCID 22710697HCID 22710697, compound

Sources & evidence

ORD record
ord-f4fa7c7751874a44b5ba7729a9e30dcf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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