Hydrochloric Acid → (4-(5-chloro-1H-indol-3-yl)piperidin-1-yl)(5-(2,5-difluorobenzyl)isoxazol-3-yl)methanone

HRID 2313258Notes

Reaction equation

HRID 2313258 reaction equation
[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[Cl:2][c:3]1[cH:4][c:5]2[c:6]([CH:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[cH:7][nH:8][c:9]2[cH:10][cH:11]1.[ClH:1].[F:18][c:19]1[c:20]([CH2:21][c:22]2[cH:23][c:24]([C:27](=[O:28])[OH:29])[n:25][o:26]2)[cH:30][c:31]([F:34])[cH:32][cH:33]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[Cl:2][c:3]1[cH:4][c:5]2[c:6]([CH:12]3[CH2:13][CH2:14][N:15]([C:27]([c:24]4[cH:23][c:22]([CH2:21][c:20]5[c:19]([F:18])[cH:33][cH:32][c:31]([F:34])[cH:30]5)[o:26][n:25]4)=[O:28])[CH2:16][CH2:17]3)[cH:7][nH:8][c:9]2[cH:10][cH:11]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 128313754-(5-chloro-[1H]-indol-3-yl)-piperidineHCID 668320395-(2,5-Difluorobenzyl)isoxazole-3-carboxylic acid

Product 1

HCID 66831758(4-(5-chloro-1H-indol-3-yl)piperidin-1-yl)(5-(2,5-difluorobenzyl)isoxazol-3-yl)methanone

Sources & evidence

ORD record
ord-1f6a6df39e1446e7a8e0da0d01865abb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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