Dimethylformamide → (3-(2-chloro-6-fluorophenyl)-5-(1-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)isoxazol-4-yl)(morpholino)methanone

HRID 98492Notes

Reaction equation

HRID 98492 reaction equation
[CH2:33]1[CH2:34][O:35][CH2:36][CH2:37][NH:38]1.[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[CH3:60][N:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12](-[c:17]3[cH:18][n:19][n:20](-[c:26]4[cH:27][c:28]([Cl:32])[cH:29][cH:30][cH:31]4)[c:21]3[C:22]([F:23])([F:24])[F:25])[c:13]2[C:14](=[O:15])[OH:16])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12](-[c:17]3[cH:18][n:19][n:20](-[c:26]4[cH:27][c:28]([Cl:32])[cH:29][cH:30][cH:31]4)[c:21]3[C:22]([F:23])([F:24])[F:25])[c:13]2[C:14](=[O:16])[N:38]2[CH2:33][CH2:34][O:35][CH2:36][CH2:37]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8083MorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 86668506HCID 86668506, compound

Product 1

HCID 86668507(3-(2-chloro-6-fluorophenyl)-5-(1-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)isoxazol-4-yl)(morpholino)methanone

Sources & evidence

ORD record
ord-162af142fed1449799dc89c0f58e4481
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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