Acetic Acid → HCID 178454240, compound

HRID 2311205Notes

Reaction equation

HRID 2311205 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:58][C:59](=[O:60])[OH:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:69][S:70](=[O:71])[CH3:72].[ClH:1].[F:2][c:3]1[c:4]([CH:15]([c:16]2[n:17][n:18](-[c:22]3[n:23][cH:24][cH:25][cH:26][n:27]3)[c:19](=[O:21])[nH:20]2)[NH:28][c:29]2[cH:30][cH:31][c:32]([C:33](=[NH:34])[NH2:35])[cH:36][cH:37]2)[cH:5][c:6]([O:13][CH3:14])[cH:7][c:8]1[O:9][CH2:10][CH2:11][OH:12].[K+:42].[K+:43].[OH2:68].[c:44]1([O:50][C:51](=[O:45])[O:52][CH2:53][C:54](=[CH2:55])[CH3:56])[cH:46][cH:47][cH:48][cH:49][cH:57]1>>[F:2][c:3]1[c:4]([CH:15]([c:16]2[n:17][n:18](-[c:22]3[n:23][cH:24][cH:25][cH:26][n:27]3)[c:19](=[O:21])[nH:20]2)[NH:28][c:29]2[cH:30][cH:31][c:32]([C:33](=[N:34][C:51](=[O:50])[O:52][CH2:53][C:54](=[CH2:55])[CH3:56])[NH2:35])[cH:36][cH:37]2)[cH:5][c:6]([O:13][CH3:14])[cH:7][c:8]1[O:9][CH2:10][CH2:11][OH:12]

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 151790822-Methyl-allyl phenyl carbonateHCID 1361727884-[[[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4H-1,2,4-triazol-3-yl)methyl]amino]benzenecarboximidamide

Product 1

HCID 178454240HCID 178454240, compound

Sources & evidence

ORD record
ord-9401e505553942379d750ca983191d40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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