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Sodium Ion → 3-(2-Benzyloxy-3-cyanophenyl)-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester

HRID 126335
Notes
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Reaction equation

HRID 126335 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH:26]2[CH:27]=[C:28]([B:33]3[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]3)[CH2:29][CH:30]1[CH2:31][CH2:32]2.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11]#[N:12])[cH:13][cH:14][cH:15][c:16]1[Br:17].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[OH2:53]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11]#[N:12])[cH:13][cH:14][cH:15][c:16]1[C:28]1=[CH:27][CH:26]2[N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH:30]([CH2:29]1)[CH2:31][CH2:32]2
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 923Sodium Ion2×HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 53393373Tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo(3.2.1)oct-2-ene-8-carboxylateHCID 598089582-(Benzyloxy)-3-bromobenzonitrile

Product 1

HCID 67152057
3-(2-Benzyloxy-3-cyanophenyl)-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-9d3c6d495bb34bf2b023dadb4933c670
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes