Dichloromethane → methyl 4-[[2-[[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]cyclohexanecarbonyl]amino]butanoate

HRID 691249

Reaction equation

HRID 691249 reaction equation
[CH3:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH2:57][CH2:58][N:59]([CH3:60])[CH3:61].[CH3:65][N:66]([c:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1)[CH3:73].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][c:18]([F:29])[cH:19][c:20]([O:22][C:23]([CH:24]([F:25])[F:26])([F:27])[F:28])[cH:21]2)[NH:30][C:31]([NH:32][CH:33]2[CH:34]([C:39](=[O:40])[OH:41])[CH2:35][CH2:36][CH2:37][CH2:38]2)=[O:42])[n:6][cH:7]1.[Cl:62][CH2:63][Cl:64].[NH2:43][CH2:44][CH2:45][CH2:46][C:47](=[O:48])[O:49][CH3:50]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][c:18]([F:29])[cH:19][c:20]([O:22][C:23]([CH:24]([F:25])[F:26])([F:27])[F:28])[cH:21]2)[NH:30][C:31]([NH:32][CH:33]2[CH:34]([C:39](=[O:41])[NH:43][CH2:44][CH2:45][CH2:46][C:47](=[O:48])[O:49][CH3:50])[CH2:35][CH2:36][CH2:37][CH2:38]2)=[O:42])[n:6][cH:7]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 18614Methyl 4-aminobutanoateHCID 1785219462-[[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]cyclohexane-1-carboxylic acid

Product 1

HCID 178500512methyl 4-[[2-[[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]cyclohexanecarbonyl]amino]butanoate

Sources & evidence

ORD record
ord-db7e98d7cbd44eba8cd6c75fcc3ce622
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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