Acetonitrile → HCID 2809985, compound

HRID 298653Notes

Reaction equation

HRID 298653 reaction equation
[CH3:40][C:41]#[N:42].[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[cH:7][cH:8][n:9][c:10]2[cH:11]1.[F:27][C:28]([c:29]1[cH:30][cH:31][c:32]([N:35]=[C:36]=[O:37])[cH:33][cH:34]1)([F:38])[F:39]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:12]3[CH2:13][CH2:14][N:15]([C:36]([NH:35][c:32]4[cH:31][cH:30][c:29]([C:28]([F:27])([F:38])[F:39])[cH:34][cH:33]4)=[O:37])[CH2:16][CH2:17]3)[cH:7][cH:8][n:9][c:10]2[cH:11]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 737684-(Trifluoromethyl)phenyl isocyanateHCID 81531DiisopropylethylamineHCID 7383897-Chloro-4-(piperazin-1-yl)quinoline

Product 1

HCID 2809985HCID 2809985, compound

Sources & evidence

ORD record
ord-7ffbbd007d0f4354a4e0db2b7bf631a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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