Hydrochloric Acid → tetrahydro-1-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)-3-(1,1-dimethylprop-2-ynyl)-6-hydroxy-2(1H)-pyrimidinone

HRID 202160Notes

Reaction equation

HRID 202160 reaction equation
[CH3:1][C:2]([C:3]#[CH:4])([CH3:5])[N:6]([C:7](=[O:8])[NH:9][c:10]1[s:11][c:12]([C:15]([F:16])([F:17])[F:18])[n:13][n:14]1)[CH2:19][CH2:20][CH:21]=[O:22].[ClH:23].[OH2:24]>>[CH3:1][C:2]([C:3]#[CH:4])([CH3:5])[N:6]1[C:7](=[O:8])[N:9]([c:10]2[s:11][c:12]([C:15]([F:16])([F:17])[F:18])[n:13][n:14]2)[CH:21]([OH:22])[CH2:20][CH2:19]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 962WaterHCID 214000743-[1-(1,1-Dimethylprop-2-ynyl)-3-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)ureido]propionaldehyde

Product 1

HCID 21400099tetrahydro-1-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)-3-(1,1-dimethylprop-2-ynyl)-6-hydroxy-2(1H)-pyrimidinone

Sources & evidence

ORD record
ord-dbab16fc705c4502bb0d7eaf931da209
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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