Dimethyl Sulfoxide → Cgp-20712

HRID 117681Notes

Reaction equation

HRID 117681 reaction equation
[CH3:36][OH:37].[CH3:38][S:39](=[O:40])[CH3:41].[NH2:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([OH:14])[c:9]([C:10](=[O:11])[NH2:12])[cH:13]1.[O:15]1[CH:16]([CH2:17][O:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[n:26]([CH3:34])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[n:29]3)[cH:23][cH:24]2)[CH2:35]1>>[NH:1]([CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([OH:14])[c:9]([C:10](=[O:11])[NH2:12])[cH:13]1)[CH2:35][CH:16]([OH:15])[CH2:17][O:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[n:26]([CH3:34])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[n:29]2)[cH:23][cH:24]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 887MethanolHCID 202550772-[4-(2,3-Epoxypropoxy)-phenyl]-1-methyl-4-(trifluoromethyl)-imidazoleHCID 230496945-(2-Aminoethoxy)-2-hydroxybenzamide

Product 1

HCID 2685Cgp-20712

Sources & evidence

ORD record
ord-61112015a93243cd8f7c4aebca733196
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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