3,5-Bis(trifluoromethyl)phenyl isocyanate → 3-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-tert-butylcyclohexyl)-1-{4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzyl}urea

HRID 87008Notes

Reaction equation

HRID 87008 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([NH:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([CH:19]([CH2:20][c:21]3[n:22][n:23][nH:24][n:25]3)[OH:26])[cH:17][cH:18]2)[CH2:9][CH2:10]1.[F:27][C:28]([c:29]1[cH:30][c:31]([N:39]=[C:40]=[O:41])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)([F:42])[F:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([N:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([CH:19]([CH2:20][c:21]3[n:22][n:23][nH:24][n:25]3)[OH:26])[cH:17][cH:18]2)[C:40]([NH:39][c:31]2[cH:30][c:29]([C:28]([F:27])([F:42])[F:43])[cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32]2)=[O:41])[CH2:9][CH2:10]1

Participants

3

Reactant 2

HCID 27333143,5-Bis(trifluoromethyl)phenyl isocyanateHCID 187688861-{4-[(4-tert-butylcyclohexylamino)methyl]phenyl}-2-(2H-tetrazol-5-yl)ethanol

Product 1

HCID 187689003-(3,5-Bis(trifluoromethyl)phenyl)-1-(4-tert-butylcyclohexyl)-1-{4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzyl}urea

Sources & evidence

ORD record
ord-6e54568916b04ec19aab6c2dc7be42b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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