Benzene → HCID 20335432, compound

HRID 2162432Notes

Reaction equation

HRID 2162432 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.[Cl:23][c:24]1[cH:25][c:26]([N:31]=[C:32]=[O:33])[cH:27][cH:28][c:29]1[Cl:30].[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]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:32]([NH:31][c:26]3[cH:25][c:24]([Cl:23])[c:29]([Cl:30])[cH:28][cH:27]3)=[O:33])[C:13]2=[O:14])[cH:7][cH:8]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 76073,4-Dichlorophenyl isocyanateHCID 8471TriethylamineHCID 1247322-(4-Methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Product 1

HCID 20335432HCID 20335432, compound

Sources & evidence

ORD record
ord-db983d8549ca4be6944c402017f859cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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