Sodium ion → Tacedinaline

HRID 1129044Notes

Reaction equation

HRID 1129044 reaction equation
[C:34]([NH:35][c:36]1[cH:37][cH:38][c:39]([C:40]([OH:41])=[O:42])[cH:43][cH:44]1)(=[O:45])[CH3:46].[CH3:29][N:30]([CH3:31])[CH:32]=[O:33].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Cl:23][C:24]([C:25]([Cl:26])=[O:27])=[O:28].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([NH:10][C:11]([c:12]2[cH:13][cH:14][c:15]([NH:18][C:19]([CH3:20])=[O:21])[cH:16][cH:17]2)=[O:22])[cH:6][cH:7][cH:8][cH:9]1.[N+:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1[NH2:60])([O-:61])=[O:62].[Na+:64].[OH-:63].[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[NH2:1][c:4]1[c:5]([NH:10][C:11]([c:12]2[cH:13][cH:14][c:15]([NH:18][C:19]([CH3:20])=[O:21])[cH:16][cH:17]2)=[O:22])[cH:6][cH:7][cH:8][cH:9]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 961HydroxideHCID 1049PyridineHCID 6228DimethylformamideHCID 69462-NitroanilineHCID 8857Ethyl AcetateHCID 19266p-Acetamidobenzoic acidHCID 65578Oxalyl chlorideHCID 3360305HCID 3360305, compound

Product 1

HCID 2746Tacedinaline

Sources & evidence

ORD record
ord-6467da8297884ee6a8d105fa3a1fd973
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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