2-Chloro-4-isocyanato-1-(trifluoromethyl)benzene → HCID 178431763, compound

HRID 1563476Notes

Reaction equation

HRID 1563476 reaction equation
[Cl:25][c:26]1[c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][cH:29][c:30]([N:32]=[C:33]=[O:34])[cH:31]1.[OH:1][CH:2]1[C:3]2([CH2:4][CH2:5]2)[CH2:6][CH2:7][N:8]([C:10]([C:11]([CH2:12][CH2:13][N:14]2[C:15](=[O:21])[CH:16]([CH3:20])[NH:17][CH2:18][CH2:19]2)([CH3:22])[CH3:23])=[O:24])[CH2:9]1>>[OH:1][CH:2]1[C:3]2([CH2:4][CH2:5]2)[CH2:6][CH2:7][N:8]([C:10]([C:11]([CH2:12][CH2:13][N:14]2[C:15](=[O:21])[CH:16]([CH3:20])[N:17]([C:33]([NH:32][c:30]3[cH:29][cH:28][c:27]([C:35]([F:36])([F:37])[F:38])[c:26]([Cl:25])[cH:31]3)=[O:34])[CH2:18][CH2:19]2)([CH3:22])[CH3:23])=[O:24])[CH2:9]1

Participants

3

Reactant 2

HCID 143684972-Chloro-4-isocyanato-1-(trifluoromethyl)benzeneHCID 670869271-[4-(8-Hydroxy-6-azaspiro[2.5]octan-6-yl)-3,3-dimethyl-4-oxobutyl]-3-methylpiperazin-2-one

Product 1

HCID 178431763HCID 178431763, compound

Sources & evidence

ORD record
ord-db9351ec47424b908ac8fdfd86ccd4af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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