4-Methylideneoxane → 3-[(3-Chlorophenyl)ethynyl]-1,8-dioxa-2-azaspiro[4.5]dec-2-ene

HRID 180593Notes

Reaction equation

HRID 180593 reaction equation
[CH2:38]=[C:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[Cl:26][c:27]1[cH:28][c:29]([C:33]#[C:34][CH:35]=[N:36][OH:37])[cH:30][cH:31][cH:32]1.[c:1]1([C:2]#[C:3][C:4]2=[N:20][O:19][C:6]3([CH2:5]2)[CH2:7][CH2:8][N:9]([C:10]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])[CH2:17][CH2:18]3)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[Cl:26][c:27]1[cH:28][c:29]([C:33]#[C:34][C:35]2=[N:36][O:37][C:39]3([CH2:38]2)[CH2:40][CH2:41][O:42][CH2:43][CH2:44]3)[cH:30][cH:31][cH:32]1

Participants

4

Reactant 3

HCID 5489754-MethylideneoxaneHCID 57493807Tert-butyl 3-(phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylateHCID 765430563-(3-Chlorophenyl)prop-2-ynal oxime

Product 1

HCID 566442253-[(3-Chlorophenyl)ethynyl]-1,8-dioxa-2-azaspiro[4.5]dec-2-ene

Sources & evidence

ORD record
ord-fec8ceae9d2f4119aee2dcec291d092a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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