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

HRID 201984

Reaction equation

HRID 201984 reaction equation
[CH3:33][S:34]([CH3:35])=[O:36].[N:25](=[C:26]=[S:27])[C:28](=[O:29])[O:30][CH2:31][CH3:32].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]([NH:15][C:16](=[O:17])[c:18]3[cH:19][c:20]([CH3:24])[n:21][n:22]3[CH3:23])[cH:12][cH:13][cH:14]2)[cH:6][n:7]1.[OH2:37]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]([NH:15][C:16](=[O:17])[c:18]3[cH:19][c:20]([CH3:24])[n:21][n:22]3[CH3:23])[cH:12][cH:13][cH:14]2)[cH:6][n:7]1)[C:26]([NH:25][C:28](=[O:29])[O:30][CH2:31][CH3:32])=[S:27]

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 85320Ethyl isothiocyanatoformateHCID 57749234N-{3-[(6-aminopyridin-3-yl)oxy]phenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide

Product 1

HCID 57749218ethyl ({[5-(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenoxy)pyridin-2-yl]amino}carbonothioyl)carbamate

Sources & evidence

ORD record
ord-c0fb93970c2c471388d377d703d32e78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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