2-Chloro-4-isocyanato-1-(trifluoromethyl)benzene → 1-N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-6-methyl-5-oxopiperazine-1,3-dicarboxamide

HRID 162258Notes

Reaction equation

HRID 162258 reaction equation
[Cl:26][c:27]1[c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][cH:30][c:31]([N:33]=[C:34]=[O:35])[cH:32]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[CH:15]([C:22](=[O:23])[NH2:24])[CH2:16][NH:17][CH:18]([CH3:21])[C:19]2=[O:20])=[O:25])[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[CH:15]([C:22](=[O:23])[NH2:24])[CH2:16][N:17]([C:34]([NH:33][c:31]3[cH:30][cH:29][c:28]([C:36]([F:37])([F:38])[F:39])[c:27]([Cl:26])[cH:32]3)=[O:35])[CH:18]([CH3:21])[C:19]2=[O:20])=[O:25])[CH2:9]1

Participants

3

Reactant 2

HCID 143684972-Chloro-4-isocyanato-1-(trifluoromethyl)benzeneHCID 178432795HCID 178432795, compound

Product 1

HCID 759518311-N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-6-methyl-5-oxopiperazine-1,3-dicarboxamide

Sources & evidence

ORD record
ord-1b3f23b47042447388cdb5ecb7273931
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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