Dimethylformamide → {2-[3-Chloro-5-(3-fluorophenyl-(3-tetrazol-2-yl-propyl)-carbamoyl)-phenoxy]-ethyl}-pyridin-4-yl-carbamic acid tert-butyl ester

HRID 174842Notes

Reaction equation

HRID 174842 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.[CH3:67][N:68]([c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1)[CH3:75].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:59][CH2:60][Cl:61].[F:43][c:44]1[cH:45][c:46]([NH:50][CH2:51][CH2:52][CH2:53][n:54]2[n:55][cH:56][n:57][n:58]2)[cH:47][cH:48][cH:49]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66]>>[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:50]([c:46]2[cH:45][c:44]([F:43])[cH:49][cH:48][cH:47]2)[CH2:51][CH2:52][CH2:53][n:54]2[n:55][cH:56][n:57][n:58]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 183489273-Fluorophenyl-(3-tetrazol-2-yl-propyl)-amine

Product 1

HCID 54468377{2-[3-Chloro-5-(3-fluorophenyl-(3-tetrazol-2-yl-propyl)-carbamoyl)-phenoxy]-ethyl}-pyridin-4-yl-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-abfe7e72bca447ae8d120fbc64ffcc07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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