Acetonitrile → HCID 66791799, compound

HRID 1228190Notes

Reaction equation

HRID 1228190 reaction equation
[CH3:19][S:20][C:21]([S:22][CH3:23])=[N:24][S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][C:43]#[N:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][NH:10][CH2:11][CH:12]2[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:21]([S:20][CH3:19])=[N:24][S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[CH2:11][CH:12]2[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 113688843-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazoleHCID 12228333HCID 12228333, compound

Product 1

HCID 66791799HCID 66791799, compound

Sources & evidence

ORD record
ord-f704b9d21699481592bb6b30ae7702df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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