Hydrochloric Acid → HCID 18619151, compound

HRID 294224Notes

Reaction equation

HRID 294224 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[O:30][c:31]1[c:32]([Cl:36])[n:33][s:34][n:35]1.[CH3:44][S:45](=[O:46])[CH3:47].[Cl:1][c:2]1[c:3]([OH:22])[cH:4][c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1.[ClH:43].[K+:41].[K+:42]>>[Cl:1][c:2]1[c:3]([O:22][c:32]2[c:31]([O:30][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[n:35][s:34][n:33]2)[cH:4][c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 112677571-methyl-6-trifluoromethyl-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2,4(1H,3H)-pyrimidinedioneHCID 18619208HCID 18619208, compound

Product 1

HCID 18619151HCID 18619151, compound

Sources & evidence

ORD record
ord-62ae43dc966240a2b4dc601725b7b9fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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