Benzene → HCID 20335441, compound

HRID 196074Notes

Reaction equation

HRID 196074 reaction equation
[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[N:9]=[C:10]([CH3:14])[CH2:11][C:12]2=[O:13])[cH:6][cH:7]1.[F:22][c:23]1[cH:24][cH:25][c:26]([N:29]=[C:30]=[O:31])[cH:27][cH:28]1.[cH:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[N:9]=[C:10]([CH3:14])[CH:11]([C:30]([NH:29][c:26]3[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]3)=[O:31])[C:12]2=[O:13])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 8471TriethylamineHCID 709554-Fluorophenyl isocyanateHCID 830553H-Pyrazol-3-one, 2-(4-chlorophenyl)-2,4-dihydro-5-methyl-

Product 1

HCID 20335441HCID 20335441, compound

Sources & evidence

ORD record
ord-9e658ab2253040c2b7dec55094f4736d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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