3-(Trifluoromethyl)phenyl isocyanate → HCID 77223875, compound

HRID 700267Notes

Reaction equation

HRID 700267 reaction equation
[F:23][C:24]([c:25]1[cH:26][c:27]([N:31]=[C:32]=[O:33])[cH:28][cH:29][cH:30]1)([F:34])[F:35].[OH:1][CH:2]1[C:3]2([CH2:4][CH2:5]2)[CH2:6][CH2:7][N:8]([C:10]([CH2:11][CH2:12][CH2:13][N:14]2[C:15](=[O:21])[CH:16]([CH3:20])[NH:17][CH2:18][CH2:19]2)=[O:22])[CH2:9]1>>[OH:1][CH:2]1[C:3]2([CH2:4][CH2:5]2)[CH2:6][CH2:7][N:8]([C:10]([CH2:11][CH2:12][CH2:13][N:14]2[C:15](=[O:21])[CH:16]([CH3:20])[N:17]([C:32]([NH:31][c:27]3[cH:26][c:25]([C:24]([F:23])([F:34])[F:35])[cH:30][cH:29][cH:28]3)=[O:33])[CH2:18][CH2:19]2)=[O:22])[CH2:9]1

Participants

3

Reactant 2

HCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 670870451-[4-(8-Hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-3-methylpiperazin-2-one

Product 1

HCID 77223875HCID 77223875, compound

Sources & evidence

ORD record
ord-6c614aad6ed144b69d8973be81337ace
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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