3-Methylcyclopentanone → HCID 178426637, compound

HRID 141199Notes

Reaction equation

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

Participants

Reactant 3

HCID 156503-Methylcyclopentanone

HCID 31374Dimethylacetamide

HCID 1363736274-amino-6-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxythieno[3,2-b]pyridin-5(4H)-one

Product 1

HCID 178426637HCID 178426637, compound

Sources & evidence

ORD record: ord-f695921e67144bf0a8b7889c5d2e126a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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