Water → 3-amino-N-{4-[3-(4-chloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-5-yl]-2,6-dimethyl-phenyl}-4-cyano-benzamide

HRID 1146935Notes

Reaction equation

HRID 1146935 reaction equation
[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:11][N:12]1[C:13](=[O:14])[CH2:15][CH2:16][C:17]1=[O:18].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[N:7][OH:8])[cH:9][cH:10]1.[NH2:19][c:20]1[cH:21][c:22]([C:23](=[O:24])[NH:25][c:26]2[c:27]([CH3:39])[cH:28][c:29]([C:33](=[CH2:34])[C:35]([F:36])([F:37])[F:38])[cH:30][c:31]2[CH3:32])[cH:40][cH:41][c:42]1[C:43]#[N:44].[OH2:57]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]2=[N:7][O:8][C:33]([c:29]3[cH:28][c:27]([CH3:39])[c:26]([NH:25][C:23]([c:22]4[cH:21][c:20]([NH2:19])[c:42]([C:43]#[N:44])[cH:41][cH:40]4)=[O:24])[c:31]([CH3:32])[cH:30]3)([C:35]([F:36])([F:37])[F:38])[CH2:34]2)[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 31398ChlorosuccinimideHCID 2191584-Chloro-benzaldehyde oximeHCID 594559073-amino-4-cyano-N-[2,6-dimethyl-4-(1-trifluoromethyl-vinyl)-phenyl]-benzamide

Product 1

HCID 594559083-amino-N-{4-[3-(4-chloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-5-yl]-2,6-dimethyl-phenyl}-4-cyano-benzamide

Sources & evidence

ORD record
ord-99fc174294d54076a7ab71691ec253b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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