Hydrochloric Acid → Hydrochloric Acid

HRID 185305Notes

Reaction equation

HRID 185305 reaction equation
[C:30]([O:31][C:32](=[O:33])[NH:36][C:37]1([c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](-[c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)[o:49][c:50]4[c:51](-[c:58]5[c:59]([CH3:63])[n:60][nH:61][cH:62]5)[cH:52][cH:53][cH:54][c:55]4[c:56]3=[O:57])[cH:45][cH:46]2)[CH2:38][CH2:39][CH2:40]1)([CH3:34])([CH3:35])[CH3:70].[CH3:79][OH:80].[ClH:78].[F:71][C:72]([F:73])([F:74])[C:75]([OH:76])=[O:77].[NH2:1][C:2]1([c:3]2[cH:4][cH:5][c:6](-[c:7]3[c:8](=[O:9])[c:10]4[c:11]([cH:12][cH:13][c:14]([F:15])[cH:16]4)[o:17][c:18]3-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:25][cH:26]2)[CH2:27][CH2:28][CH2:29]1.[OH2:81]>>[ClH:78].[NH2:36][C:37]1([c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](-[c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)[o:49][c:50]4[c:51](-[c:58]5[c:59]([CH3:63])[n:60][nH:61][cH:62]5)[cH:52][cH:53][cH:54][c:55]4[c:56]3=[O:57])[cH:45][cH:46]2)[CH2:38][CH2:39][CH2:40]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 6422Trifluoroacetic acidHCID 510305983-[4-(1-Amino-cyclobutyl)-phenyl]-6-fluoro-2-phenyl-chromen-4-oneHCID 178434527(1-{4-[8-(3-Methyl-1H-pyrazol-4-yl)-4-oxo-2-phenyl-4H-chromen-3-yl]-phenyl}-cyclobutyl)-carbamic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 178434525HCID 178434525, compound

Sources & evidence

ORD record
ord-a09f89f8f89e4a3d9a7461c5e5e640f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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