Pentane, 1-isocyanato- → HCID 16035547, compound

HRID 2131223Notes

Reaction equation

HRID 2131223 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[N:6]=[C:7]=[O:8].[NH2:9][c:10]1[cH:11][cH:12][c:13]([N:16]2[CH2:17][CH2:18][N:19]([C:22](=[O:23])[c:24]3[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]3)[CH2:20][CH2:21]2)[n:14][n:15]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[NH:6][C:7](=[O:8])[NH:9][c:10]1[cH:11][cH:12][c:13]([N:16]2[CH2:17][CH2:18][N:19]([C:22](=[O:23])[c:24]3[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]3)[CH2:20][CH2:21]2)[n:14][n:15]1

Participants

3

Reactant 2

HCID 206036Pentane, 1-isocyanato-HCID 66849536[4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone

Product 1

HCID 16035547HCID 16035547, compound

Sources & evidence

ORD record
ord-e686cda9571c4c2fbb0825d32b4c9b16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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