Hydrochloric Acid → Hydrochloric Acid

HRID 299400Notes

Reaction equation

HRID 299400 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](=[O:68])[c:49]4[cH:50][cH:51][c:52]5[c:53]([c:54]4[o:55][c:56]3-[c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)[n:63]([CH2:66][CH3:67])[n:64][cH:65]5)[cH:45][cH:46]2)[CH2:38][CH2:39][CH2:40]1)([CH3:34])([CH3:35])[CH3:69].[CH3:78][OH:79].[ClH:77].[F:70][C:71]([F:72])([F:73])[C:74]([OH:75])=[O:76].[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.[OH2:80]>>[ClH:77].[NH2:36][C:37]1([c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](=[O:68])[c:49]4[cH:50][cH:51][c:52]5[c:53]([c:54]4[o:55][c:56]3-[c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)[n:63]([CH2:66][CH3:67])[n:64][cH:65]5)[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 67067856HCID 67067856, compound

Product 2

HCID 313Hydrochloric AcidHCID 51030323HCID 51030323, compound

Sources & evidence

ORD record
ord-e8226f0dad4240ed96ebc398a487e419
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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