Hydrochloric Acid → 5-(3-(1-(Cyclopropylsulfonylcarbamoyl)cyclopropylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

HRID 174277Notes

Reaction equation

HRID 174277 reaction equation
[CH3:77][OH:78].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[ClH:30].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1.[NH2:31][C:32]1([C:35](=[O:36])[NH:37][S:38](=[O:39])(=[O:40])[CH:41]2[CH2:42][CH2:43]2)[CH2:33][CH2:34]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[NH:31][C:32]4([C:35](=[O:36])[NH:37][S:38](=[O:39])(=[O:40])[CH:41]5[CH2:42][CH2:43]5)[CH2:33][CH2:34]4)[cH:27][cH:28][cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 592754243-[2-(4-Fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acidHCID 667645401-amino-N-cyclopropylsulfonylcyclopropane-1-carboxamide

Product 1

HCID 592756495-(3-(1-(Cyclopropylsulfonylcarbamoyl)cyclopropylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-65284c329e3041719e24313c456a81ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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