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

HRID 662929Notes

Reaction equation

HRID 662929 reaction equation
[CH2:13]([CH3:14])[O:15][C:16](=[O:17])[C:18]1([NH2:23])[CH:19]([CH:21]=[CH2:22])[CH2:20]1.[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:62][CH2:63][Cl:64].[ClH:12].[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:57]=[CH:58][N:59]([CH3:60])[CH3:61].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[O:1]=[C:2]1[O:3][CH:4]2[CH2:5][CH:6]([C:9](=[O:11])[NH:23][C:18]3([C:16]([O:15][CH2:13][CH3:14])=[O:17])[CH:19]([CH:21]=[CH2:22])[CH2:20]3)[CH:7]1[CH2:8]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 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-122feeb70590430abe38564ef65a348c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…