Acetic Acid → HCID 178454240, compound

HRID 1203176Notes

Reaction equation

HRID 1203176 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH3:1][O:2][CH:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:10]([OH:11])=[O:12].[CH3:55][S:56](=[O:57])[CH3:58].[CH3:73][C:74](=[O:75])[OH:76].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[F:13][c:14]1[c:15]([CH:26]([c:27]2[n:28][n:29](-[c:33]3[n:34][cH:35][cH:36][cH:37][n:38]3)[c:30](=[O:32])[nH:31]2)[NH:39][c:40]2[cH:41][cH:42][c:43]([C:44](=[NH:45])[NH2:46])[cH:47][cH:48]2)[cH:16][c:17]([O:24][CH3:25])[cH:18][c:19]1[O:20][CH2:21][CH2:22][OH:23].[K+:53].[K+:54].[OH2:77].[c:59]1([O:65][C:66](=[O:60])[O:67][CH2:68][C:69](=[CH2:70])[CH3:71])[cH:61][cH:62][cH:63][cH:64][cH:72]1>>[F:13][c:14]1[c:15]([CH:26]([c:27]2[n:28][n:29](-[c:33]3[n:34][cH:35][cH:36][cH:37][n:38]3)[c:30](=[O:32])[nH:31]2)[NH:39][c:40]2[cH:41][cH:42][c:43]([C:44](=[N:45][C:66](=[O:65])[O:67][CH2:68][C:69](=[CH2:70])[CH3:71])[NH2:46])[cH:47][cH:48]2)[cH:16][c:17]([O:24][CH3:25])[cH:18][c:19]1[O:20][CH2:21][CH2:22][OH:23]

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 107202Methoxyphenylacetic acidHCID 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-661be0fd7006407bab4e94a67c11d7d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…