Water → N-[4-[2-(tert-butylcarbamoyl)cyclohexyl]-3-hydroxy-1-phenylbutan-2-yl]-2-[(3,5-dichlorobenzoyl)amino]butanediamide

HRID 2330444

Reaction equation

HRID 2330444 reaction equation
[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH:56]1([N:57]=[C:58]=[N:59][CH:60]2[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]2)[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[Cl:34][c:35]1[cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41][c:42]([Cl:44])[cH:43]1.[NH2:1][CH:2]([CH2:3][C:4]([NH2:5])=[O:6])[C:7](=[O:8])[NH:9][CH:10]([CH:11]([CH2:12][CH:13]1[CH:14]([C:19](=[O:20])[NH:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:15][CH2:16][CH2:17][CH2:18]1)[OH:26])[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[OH2:45].[OH:46][c:47]1[c:48]2[n:49][n:50][nH:51][c:52]2[cH:53][cH:54][cH:55]1>>[NH:1]([CH:2]([CH2:3][C:4]([NH2:5])=[O:6])[C:7](=[O:8])[NH:9][CH:10]([CH:11]([CH2:12][CH:13]1[CH:14]([C:19](=[O:20])[NH:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:15][CH2:16][CH2:17][CH2:18]1)[OH:26])[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[C:38]([c:37]1[cH:36][c:35]([Cl:34])[cH:43][c:42]([Cl:44])[cH:41]1)=[O:39]

Participants

7

Reactant 6

HCID 962WaterHCID 58113,5-Dichlorobenzoic acidHCID 6228DimethylformamideHCID 10868DicyclohexylcarbodiimideHCID 178418300HCID 178418300, compoundHCID 178449288HCID 178449288, compound

Product 1

HCID 178449286N-[4-[2-(tert-butylcarbamoyl)cyclohexyl]-3-hydroxy-1-phenylbutan-2-yl]-2-[(3,5-dichlorobenzoyl)amino]butanediamide

Sources & evidence

ORD record
ord-b2b0e9f3dbb64b638d192460572ca3db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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