Hydrochloric Acid → tert-butyl N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]carbamate

HRID 123289Notes

Reaction equation

HRID 123289 reaction equation
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:12])[OH:13].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[ClH:14].[NH:15]1[CH2:16][CH:17]([C:19]#[N:20])[CH2:18]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1.[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:13])[N:15]1[CH2:16][CH:17]([C:19]#[N:20])[CH2:18]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2684712-N-Boc-aminopropionic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 221323843-Azetidinecarbonitrile

Product 1

HCID 67427272tert-butyl N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]carbamate

Sources & evidence

ORD record
ord-686dd702b59144f9b83f1bb3a7af5360
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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