Hydrochloric Acid → 9H-fluoren-9-ylmethyl N-[3-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]oxetan-3-yl]carbamate

HRID 687699Notes

Reaction equation

HRID 687699 reaction equation
[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH3:37].[Cl:49][c:50]1[cH:51][c:52]([F:72])[c:53](-[c:66]2[n:67][o:68][c:69]([CH3:71])[n:70]2)[c:54](-[c:56]2[cH:57][c:58]3[c:62]([cH:63][cH:64]2)[CH:61]([NH2:65])[CH2:60][CH2:59]3)[cH:55]1.[ClH:26].[K+:73].[K+:74].[O-:75][C:76]([O-:77])=[O:78].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:38].[OH2:84].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][C:19]1([C:23](=[O:24])[OH:25])[CH2:20][O:21][CH2:22]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][C:19]1([C:23](=[O:24])[NH:65][CH:61]3[CH2:60][CH2:59][c:58]4[cH:57][c:56](-[c:54]5[c:53](-[c:66]6[n:67][o:68][c:69]([CH3:71])[n:70]6)[c:52]([F:72])[cH:51][c:50]([Cl:49])[cH:55]5)[cH:64][cH:63][c:62]43)[CH2:20][O:21][CH2:22]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962Water2×HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 19660Carbonate IonHCID 757711-HydroxybenzotriazoleHCID 679511683-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)oxetane-3-carboxylic acidHCID 774648335-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-amine

Product 1

HCID 682968039H-fluoren-9-ylmethyl N-[3-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]oxetan-3-yl]carbamate

Sources & evidence

ORD record
ord-75507e945b4848759714ec004b0c85dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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