Dimethyl Sulfoxide → 1-[4-[3-(4-Chlorophenoxy)azetidin-1-yl]-1-hydroxybutan-2-yl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea

HRID 206872Notes

Reaction equation

HRID 206872 reaction equation
[CH3:37][S:38]([CH3:39])=[O:40].[NH2:1][CH:2]([CH2:3][OH:4])[CH2:5][CH2:6][N:7]1[CH2:8][CH:9]([O:11][c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:10]1.[c:19]1([O:25][C:26](=[O:20])[NH:27][c:28]2[n:29]([CH3:35])[n:30][c:31]([CH2:33][CH3:34])[cH:32]2)[cH:21][cH:22][cH:23][cH:24][cH:36]1>>[NH:1]([CH:2]([CH2:3][OH:4])[CH2:5][CH2:6][N:7]1[CH2:8][CH:9]([O:11][c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:10]1)[C:26](=[O:25])[NH:27][c:28]1[n:29]([CH3:35])[n:30][c:31]([CH2:33][CH3:34])[cH:32]1

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 69360901(5-Ethyl-2-methyl-2H-pyrazol-3-yl)-carbamic acid phenyl esterHCID 694091302-Amino-4-[3-(4-chlorophenoxy)azetidin-1-yl]butan-1-ol

Product 1

HCID 907687911-[4-[3-(4-Chlorophenoxy)azetidin-1-yl]-1-hydroxybutan-2-yl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea

Sources & evidence

ORD record
ord-9a58a933590e443095d4471217c441b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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