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

HRID 162185Notes

Reaction equation

HRID 162185 reaction equation
[B-:28]([F:29])([F:30])([F:31])[F:32].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][O:11][c:12]1[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][c:19]([Cl:21])[cH:20]1)[c:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1.[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[CH:69]1([NH:74][CH2:75][CH2:76][C:77]#[N:78])[CH2:70][CH2:71][CH2:72][CH2:73]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH:50][n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[n:58][n:59]1.[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][O:11][c:12]1[cH:13][c:14]([C:15](=[O:16])[N:74]([CH:69]2[CH2:70][CH2:71][CH2:72][CH2:73]2)[CH2:75][CH2:76][C:77]#[N:78])[cH:18][c:19]([Cl:21])[cH:20]1)[c:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 27580023-(Cyclopentylamino)propionitrileHCID 18348849Benzoic acid,3-chloro-5-[2-[[(1,1-dimethylethoxy)carbonyl]-4-pyridinylamino]ethoxy]-

Product 1

HCID 54100150(2-{3-Chloro-5-[(2-cyano-ethyl)-cyclopentyl-carbamoyl]-phenoxy}-ethyl)-pyridin-4-yl-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-cf9366b8c2074fa3a239795dc1554ff9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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