Dimethylformamide → 1-[(3-Oxo-2-oxa-bicyclo[2.2.1]heptane-5-carbonyl)-amino]-2-vinyl-cyclo-propane carboxylic acid ethyl ester

HRID 93654Notes

Reaction equation

HRID 93654 reaction equation
[CH2:12]([CH3:13])[O:14][C:15](=[O:16])[C:17]1([NH2:22])[CH:18]([CH:20]=[CH2:21])[CH2:19]1.[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:61][CH2:62][Cl:63].[O:1]=[C:2]1[O:3][CH:4]2[CH2:5][CH:6]([C:9](=[O:10])[OH:11])[CH:7]1[CH2:8]2.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[O:1]=[C:2]1[O:3][CH:4]2[CH2:5][CH:6]([C:9](=[O:11])[NH:22][C:17]3([C:15]([O:14][CH2:12][CH3:13])=[O:16])[CH:18]([CH:20]=[CH2:21])[CH2:19]3)[CH:7]1[CH2:8]2

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22082824Ethyl 1-amino-2-vinylcyclopropanecarboxylateHCID 462449653-Oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid

Product 1

HCID 668704341-[(3-Oxo-2-oxa-bicyclo[2.2.1]heptane-5-carbonyl)-amino]-2-vinyl-cyclo-propane carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-aca8b126b44f46cf851f0bb07c6bcfbf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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