Dimethylformamide → 3-({3-[2-(tert-Butoxycarbonyl-pyridin-4-yl-amino)-ethoxy]-5-chloro-benzoyl}-phenyl-amino)-propionic acid methyl ester

HRID 142892Notes

Reaction equation

HRID 142892 reaction equation
[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]([CH2:15][CH2:16][O:17][c:18]1[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][c:25]([Cl:27])[cH:26]1)[c:28]1[cH:29][cH:30][n:31][cH:32][cH:33]1.[CH3:34][O:35][C:36]([CH2:37][CH2:38][NH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)=[O:46].[CH3:59][N:60]([c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1)[CH3:67].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:56][CH2:57][Cl:58].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72]>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]([CH2:15][CH2:16][O:17][c:18]1[cH:19][c:20]([C:21](=[O:23])[N:39]([CH2:38][CH2:37][C:36]([O:35][CH3:34])=[O:46])[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:24][c:25]([Cl:27])[cH:26]1)[c:28]1[cH:29][cH:30][n:31][cH:32][cH:33]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 89103N-Phenyl-beta-alanine methyl esterHCID 18348849Benzoic acid,3-chloro-5-[2-[[(1,1-dimethylethoxy)carbonyl]-4-pyridinylamino]ethoxy]-

Product 1

HCID 540560693-({3-[2-(tert-Butoxycarbonyl-pyridin-4-yl-amino)-ethoxy]-5-chloro-benzoyl}-phenyl-amino)-propionic acid methyl ester

Sources & evidence

ORD record
ord-c7c7ad6b13084e3c912634447c78ff13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…