Phenethyl isocyanate → HCID 11466137, compound

HRID 1239505Notes

Reaction equation

HRID 1239505 reaction equation
[NH2:12][c:13]1[cH:14][cH:15][c:16]([N:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[c:27]3[c:28]([C:33]([F:34])([F:35])[F:36])[cH:29][cH:30][cH:31][cH:32]3)[CH2:23][CH2:24]2)[n:17][n:18]1.[c:1]1([CH2:7][CH2:8][N:9]=[C:10]=[O:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][NH:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([N:19]3[CH2:20][CH2:21][N:22]([C:25](=[O:26])[c:27]4[c:28]([C:33]([F:34])([F:35])[F:36])[cH:29][cH:30][cH:31][cH:32]4)[CH2:23][CH2:24]3)[n:17][n:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

3

Reactant 2

HCID 160602Phenethyl isocyanateHCID 66849536[4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone

Product 1

HCID 11466137HCID 11466137, compound

Sources & evidence

ORD record
ord-91701973b7714298ace44183c2ddd04b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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