Lithium ion → 2'H-Spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidin]-2'-one

HRID 673715Notes

Reaction equation

HRID 673715 reaction equation
[Br:49][CH2:50][CH:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[CH:57]([N-:58][CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Li+:64].[N+:65]([CH:66]=[CH2:67])([O-:68])=[O:69].[N:24]12[CH2:25][CH2:26][CH:27]([CH2:28][CH2:29]1)[CH2:30][CH:31]2[C:32](=[O:33])[O:34][CH2:35][CH3:36].[N:37]12[CH2:38][CH:39]([CH2:40][CH2:41]1)[CH2:42][CH:43]2[C:44]([O:45][CH2:46][CH3:47])=[O:48].[NH:13]1[CH2:14][CH2:15][C:16]2([CH2:17][CH:18]3[CH2:19][N:20]2[CH2:21][CH2:22]3)[CH2:23]1.[NH:1]1[CH2:2][C:3]2([N:4]3[CH2:5][CH2:6][CH:7]([CH2:8]2)[CH2:9][CH2:10]3)[CH2:11][CH2:12]1>>[NH:1]1[C:2](=[O:33])[C:3]2([N:4]3[CH2:5][CH2:6][CH:7]([CH2:8]2)[CH2:9][CH2:10]3)[CH2:11][CH2:12]1

Participants

9

Reactant 8

HCID 28486Lithium ionHCID 771971-NitroethyleneHCID 27732864-(Bromomethyl)oxaneHCID 5062348DiisopropylamideHCID 1246239239926-11-9HCID 22291202Ethyl 1-azabicyclo[2.2.1]heptane-2-carboxylateHCID 22291224Spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]HCID 22291238Spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]

Product 1

HCID 222912082'H-Spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidin]-2'-one

Sources & evidence

ORD record
ord-82693df77e5142d182f5b0ad049cb282
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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