Dimethyl Sulfoxide → ethyl ({[5-(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-4-methylphenoxy)pyridin-2-yl]amino}carbonothioyl)carbamate

HRID 178765

Reaction equation

HRID 178765 reaction equation
[CH3:34][S:35]([CH3:36])=[O:37].[N:26](=[C:27]=[S:28])[C:29](=[O:30])[O:31][CH2:32][CH3:33].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][c:12]([CH3:25])[c:13]([NH:15][C:16](=[O:17])[c:18]3[cH:19][c:20]([CH3:24])[n:21][n:22]3[CH3:23])[cH:14]2)[cH:6][n:7]1.[OH2:38]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][c:12]([CH3:25])[c:13]([NH:15][C:16](=[O:17])[c:18]3[cH:19][c:20]([CH3:24])[n:21][n:22]3[CH3:23])[cH:14]2)[cH:6][n:7]1)[C:27]([NH:26][C:29](=[O:30])[O:31][CH2:32][CH3:33])=[S:28]

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 85320Ethyl isothiocyanatoformateHCID 57749384N-{5-[(6-aminopyridin-3-yl)oxy]-2-methylphenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide

Product 1

HCID 86631976ethyl ({[5-(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-4-methylphenoxy)pyridin-2-yl]amino}carbonothioyl)carbamate

Sources & evidence

ORD record
ord-8000ed89b0d7457097555f641e779d6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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