Hexyl isocyanate → HCID 66849894, compound

HRID 683912Notes

Reaction equation

HRID 683912 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]=[C:8]=[O:9].[NH2:10][c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[c:25]3[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]3)[CH2:21][CH2:22]2)[n:15][n:16]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[NH:7][C:8](=[O:9])[NH:10][c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[c:25]3[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]3)[CH2:21][CH2:22]2)[n:15][n:16]1

Participants

3

Reactant 2

HCID 75659Hexyl isocyanateHCID 66849536[4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone

Product 1

HCID 66849894HCID 66849894, compound

Sources & evidence

ORD record
ord-d48d1049023e4c00a281c185691dfcc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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