Water → Nsp 804

HRID 1115703Notes

Reaction equation

HRID 1115703 reaction equation
[CH3:15][CH:16]1[C:17](=[O:22])[CH2:18][CH2:19][C:20]1=[O:21].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:13][NH:12][C:11](=[O:14])[CH2:10][CH2:9]2)[cH:6][cH:7]1.[OH2:23].[OH2:35].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:13][NH:12][C:11](=[O:14])[CH2:10][CH2:9]2)[cH:6][cH:7]1)[C:17]1=[C:16]([CH3:15])[C:20](=[O:21])[CH2:19][CH2:18]1

Participants

6

Reactant 5

HCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 130052-Methyl-1,3-cyclopentanedioneHCID 6767506-(4-Aminophenyl)-4,5-dihydropyridazin-3(2H)-one

Product 1

HCID 130345Nsp 804

Sources & evidence

ORD record
ord-e307f02ab0394fe8bb55f2dc8a087ff5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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