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 1145142Notes

Reaction equation

HRID 1145142 reaction equation
[CH2:1]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:10]1)[O:8][C:9](=[O:2])[N:11]1[CH:12]([CH3:35])[C:13](=[O:34])[N:14]([CH2:20][CH2:21][CH2:22][C:23](=[O:24])[N:25]2[CH2:26][CH:27]([OH:33])[C:28]3([CH2:29][CH2:30]3)[CH2:31][CH2:32]2)[CH:15]([C:17]([NH2:18])=[O:19])[CH2:16]1.[Cl:36][c:37]1[c:38]([C:46]([F:47])([F:48])[F:49])[cH:39][cH:40][c:41]([N:43]=[C:44]=[O:45])[cH:42]1>>[O:8]=[C:9]([N:11]1[CH:12]([CH3:35])[C:13](=[O:34])[N:14]([CH2:20][CH2:21][CH2:22][C:23](=[O:24])[N:25]2[CH2:26][CH:27]([OH:33])[C:28]3([CH2:29][CH2:30]3)[CH2:31][CH2:32]2)[CH:15]([C:17]([NH2:18])=[O:19])[CH2:16]1)[NH:43][c:41]1[cH:40][cH:39][c:38]([C:46]([F:47])([F:48])[F:49])[c:37]([Cl:36])[cH:42]1

Participants

3

Reactant 2

HCID 143684972-Chloro-4-isocyanato-1-(trifluoromethyl)benzeneHCID 67074381Benzyl 5-carbamoyl-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-2-methyl-3-oxopiperazine-1-carboxylate

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-bc1ecc33ba754e57b8910c0c20f73813
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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