Tetrahydrofuran → Ethyl 9,9-bis(4-fluorophenyl)-5-hydroxy-8-(1-ethyl-1H-tetrazol-5-yl)-3-oxo-6,8-nonadienoate

HRID 318195Notes

Reaction equation

HRID 318195 reaction equation
[C:28]([CH2:29][C:30](=[O:31])[CH3:32])(=[O:33])[O:34][CH2:35][CH3:36].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[C:9]([CH:10]=[CH:11][CH:12]=[O:13])[c:14]2[n:15][n:16][n:17][n:18]2[CH2:19][CH3:20])[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:6][cH:7]1.[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[C:9]([CH:10]=[CH:11][CH:12]([OH:13])[CH2:32][C:30]([CH2:29][C:28](=[O:33])[O:34][CH2:35][CH3:36])=[O:31])[c:14]2[n:15][n:16][n:17][n:18]2[CH2:19][CH3:20])[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 8028TetrahydrofuranHCID 8868Ethyl AcetoacetateHCID 545558045,5-bis(4-fluorophenyl)-4-(1-ethyl-1H-tetrazol-5-yl)2,4-pentadienal

Product 1

HCID 86743727Ethyl 9,9-bis(4-fluorophenyl)-5-hydroxy-8-(1-ethyl-1H-tetrazol-5-yl)-3-oxo-6,8-nonadienoate

Sources & evidence

ORD record
ord-bf35621891d940489da8fca5e7053bf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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