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

HRID 173742Notes

Reaction equation

HRID 173742 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][CH2:39][NH:40][c:41]1[c:42]([C:47]([NH2:48])=[O:49])[cH:43][cH:44][cH:45][cH:46]1)=[O:50].[CH3:68][N:69]([c:70]1[cH:71][cH:72][n:73][cH:74][cH:75]1)[CH3:76].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:60][CH2:61][Cl:62].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67]>>[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])[N:40]([CH2:39][CH2:38][CH2:37][C:36]([O:35][CH3:34])=[O:50])[c:41]2[c:42]([C:47]([NH2:48])=[O:49])[cH:43][cH:44][cH:45][cH:46]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 18348849Benzoic acid,3-chloro-5-[2-[[(1,1-dimethylethoxy)carbonyl]-4-pyridinylamino]ethoxy]-HCID 539927184-(2-Carbamoyl phenylamino)-butyric acid methyl ester

Product 1

HCID 538483244-[{3-[2-(tert-Butoxycarbonyl-pyridin-4-yl-amino)-ethoxy]-5-chloro-benzoyl}-(2-carbamoyl-phenyl)-amino]-butyric acid methyl ester

Sources & evidence

ORD record
ord-b25c961fff4d45d0be402c78c93103ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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