Acetonitrile → Ethyl 3-[4-[[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)phenyl]methoxy]phenyl]hex-4-ynoate

HRID 289421Notes

Reaction equation

HRID 289421 reaction equation
[C:15](=[O:16])([O-:17])[O-:18].[CH2:21]([CH3:22])[O:23][C:24]([CH2:25][CH:26]([C:27]#[C:28][CH3:29])[c:30]1[cH:31][cH:32][c:33]([O:36][CH2:37][c:38]2[cH:39][cH:40][c:41]([CH2:44][Br:45])[cH:42][cH:43]2)[cH:34][cH:35]1)=[O:46].[CH3:47][C:48]#[N:49].[Cs+:19].[Cs+:20].[NH:1]1[CH2:2][CH2:3][C:4]2([CH2:5][CH2:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]32)[CH2:13][CH2:14]1>>[N:1]1([CH2:44][c:41]2[cH:40][cH:39][c:38]([CH2:37][O:36][c:33]3[cH:32][cH:31][c:30]([CH:26]([CH2:25][C:24]([O:23][CH2:21][CH3:22])=[O:46])[C:27]#[C:28][CH3:29])[cH:35][cH:34]3)[cH:43][cH:42]2)[CH2:2][CH2:3][C:4]2([CH2:5][CH2:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]32)[CH2:13][CH2:14]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 156376162,3-Dihydrospiro(indene-1,4'-piperidine)HCID 670873073-[4-(4-Bromomethyl-benzyloxy)-phenyl]-hex-4-ynoic acid ethyl ester

Product 1

HCID 76709464Ethyl 3-[4-[[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)phenyl]methoxy]phenyl]hex-4-ynoate

Sources & evidence

ORD record
ord-0cefc3b6638a45ed99ff26700df7ac7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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