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

HRID 288536Notes

Reaction equation

HRID 288536 reaction equation
[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:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[CH:61]1([NH:65][CH2:66][CH2:67][C:68]#[N:69])[CH2:62][CH2:63][CH2:64]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]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:17])[N:65]([CH:61]2[CH2:62][CH2:63][CH2:64]2)[CH2:66][CH2:67][C:68]#[N:69])[cH:18][c:19]([Cl:21])[cH:20]1)[c:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 18348849Benzoic acid,3-chloro-5-[2-[[(1,1-dimethylethoxy)carbonyl]-4-pyridinylamino]ethoxy]-HCID 183489093-(Cyclobutylamino)propionitrile

Product 1

HCID 54411432(2-{3-Chloro-5-[(2-cyano-ethyl)-cyclobutyl-carbamoyl]-phenoxy}-ethyl)-pyridin-4-yl-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-59f25e8cf9ce432da11897204217cf62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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