Sodium ion → HCID 44177178, compound

HRID 1544585Notes

Reaction equation

HRID 1544585 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[NH2:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[c:7]1[n:8][c:9](-[c:29]2[c:30]([Cl:36])[cH:31][cH:32][cH:33][c:34]2[Cl:35])[n:10](-[c:12]2[c:13]([Cl:28])[cH:14][c:15](-[c:18]3[cH:19][c:20]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[cH:11]1)([CH3:37])[CH3:38].[Na+:51].[OH-:50].[OH2:58].[P:39]([Cl:40])([Cl:41])([Cl:42])=[O:43]>>[NH:1]1[C:2]([CH3:37])([CH3:38])[CH2:3][N:4]=[C:5]1[c:7]1[n:8][c:9](-[c:29]2[c:30]([Cl:36])[cH:31][cH:32][cH:33][c:34]2[Cl:35])[n:10](-[c:12]2[c:13]([Cl:28])[cH:14][c:15](-[c:18]3[cH:19][c:20]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[cH:11]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 24813Phosphorus oxychlorideHCID 312751,4-DioxaneHCID 59240199HCID 59240199, compound

Product 1

HCID 44177178HCID 44177178, compound

Sources & evidence

ORD record
ord-25dd252e7f74415d862779c81e41c9c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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