Benzene → HCID 20335426, compound

HRID 183864Notes

Reaction equation

HRID 183864 reaction equation
[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[N:10]=[C:11]([CH3:15])[CH2:12][C:13]2=[O:14])[cH:7][cH:8]1.[F:23][c:24]1[cH:25][cH:26][c:27]([N:30]=[C:31]=[O:32])[cH:28][cH:29]1.[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[N:10]=[C:11]([CH3:15])[CH:12]([C:31]([NH:30][c:27]3[cH:26][cH:25][c:24]([F:23])[cH:29][cH:28]3)=[O:32])[C:13]2=[O:14])[cH:7][cH:8]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 8471TriethylamineHCID 709554-Fluorophenyl isocyanateHCID 1247322-(4-Methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Product 1

HCID 20335426HCID 20335426, compound

Sources & evidence

ORD record
ord-e92d90f5344e467fbc829800ffed783e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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