Dimethyl Sulfoxide → 1-[2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-[4-(4-methyl-5-methylthio-4H-1,2,4-triazol-3-yl)-phenoxy]-2-propanol

HRID 1118542Notes

Reaction equation

HRID 1118542 reaction equation
[CH3:35][S:36](=[O:37])[CH3:38].[NH2:20][CH2:21][CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]([OH:33])[c:28]([C:29](=[O:30])[NH2:31])[cH:32]1.[O:1]1[CH:2]([CH2:3][O:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][n:13][c:14]([S:17][CH3:18])[n:15]3[CH3:16])[cH:9][cH:10]2)[CH2:19]1.[OH2:34]>>[OH:1][CH:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][n:13][c:14]([S:17][CH3:18])[n:15]2[CH3:16])[cH:9][cH:10]1)[CH2:19][NH:20][CH2:21][CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]([OH:33])[c:28]([C:29](=[O:30])[NH2:31])[cH:32]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 202550733-[4-(2,3-epoxypropoxy)-phenyl]-4-methyl-5-methylthio-4H-1,2,4-triazoleHCID 230496945-(2-Aminoethoxy)-2-hydroxybenzamide

Product 1

HCID 202550801-[2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-[4-(4-methyl-5-methylthio-4H-1,2,4-triazol-3-yl)-phenoxy]-2-propanol

Sources & evidence

ORD record
ord-c224bd127abd4627a94101c7233d418f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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