1,2-Dichloro-3-isocyanatobenzene → 1-(1-(3-(3-amino-2-methyl-3-oxopropyl)phenyl)-3-(2-fluorophenyl)-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea

HRID 165771Notes

Reaction equation

HRID 165771 reaction equation
[Cl:26][c:27]1[c:28]([N:34]=[C:35]=[O:36])[cH:29][cH:30][cH:31][c:32]1[Cl:33].[NH2:1][c:2]1[cH:3][c:4](-[c:19]2[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]2)[n:5][n:6]1-[c:7]1[cH:8][c:9]([CH2:13][CH:14]([C:15](=[O:16])[NH2:17])[CH3:18])[cH:10][cH:11][cH:12]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:19]2[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]2)[n:5][n:6]1-[c:7]1[cH:8][c:9]([CH2:13][CH:14]([C:15](=[O:16])[NH2:17])[CH3:18])[cH:10][cH:11][cH:12]1)[C:35]([NH:34][c:28]1[c:27]([Cl:26])[c:32]([Cl:33])[cH:31][cH:30][cH:29]1)=[O:36]

Participants

3

Reactant 2

HCID 330501,2-Dichloro-3-isocyanatobenzeneHCID 67270420HCID 67270420, compound

Product 1

HCID 117063621-(1-(3-(3-amino-2-methyl-3-oxopropyl)phenyl)-3-(2-fluorophenyl)-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea

Sources & evidence

ORD record
ord-65c65375f7484947aaf39be5678f5520
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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