2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile → 1-({5-[3,5-bis(Trifluoromethyl)phenyl]-3-isoxazolyl}methyl)-2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile

HRID 1148821Notes

Reaction equation

HRID 1148821 reaction equation
[CH3:1][c:2]1[nH:3][c:4]2[cH:5][cH:6][c:7]([C:15]#[N:16])[c:8]([C:11]([F:12])([F:13])[F:14])[c:9]2[cH:10]1.[Cl:17][CH2:18][c:19]1[n:20][o:21][c:22](-[c:24]2[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:23]1>>[CH3:1][c:2]1[n:3]([CH2:18][c:19]2[n:20][o:21][c:22](-[c:24]3[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]3)[cH:23]2)[c:4]2[cH:5][cH:6][c:7]([C:15]#[N:16])[c:8]([C:11]([F:12])([F:13])[F:14])[c:9]2[cH:10]1

Participants

3

Reactant 2

HCID 533093462-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrileHCID 578002023-(Chloromethyl)-5-[3,5-bis(trifluoromethyl)phenyl]isoxazole

Product 1

HCID 866207071-({5-[3,5-bis(Trifluoromethyl)phenyl]-3-isoxazolyl}methyl)-2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile

Sources & evidence

ORD record
ord-116b1ecf333a4f7886e48f965f3d8aa8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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