Ammonium → Tert-butyl 4-[2-[2-[1-(2-ethoxy-2-oxoethyl)cyclopropyl]ethyl]-4-(2-hydroxyphenyl)but-3-enyl]benzoate

HRID 687308Notes

Reaction equation

HRID 687308 reaction equation
[Br-:6].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:34]([CH3:35])[O:36][C:37]([CH2:38][C:39]1([CH2:42][CH2:43][CH:44]([CH2:45][c:46]2[cH:47][cH:48][c:49]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[cH:57][cH:58]2)[CH:59]=[O:60])[CH2:40][CH2:41]1)=[O:61].[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69].[Cl-:62].[NH4+:63].[OH:7][c:8]1[c:9]([CH2:10][P+:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33]1>>[OH:7][c:8]1[c:9]([CH:10]=[CH:59][CH:44]([CH2:43][CH2:42][C:39]2([CH2:38][C:37]([O:36][CH2:34][CH3:35])=[O:61])[CH2:40][CH2:41]2)[CH2:45][c:46]2[cH:47][cH:48][c:49]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[cH:57][cH:58]2)[cH:30][cH:31][cH:32][cH:33]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8058HexaneHCID 27241432-[(Bromo-tri(phenyl)phosphoranyl)methyl]phenolHCID 57965755tert-Butyl 4-{4-[1-(2-ethoxy-2-oxoethyl)cyclopropyl]-2-formylbutyl}benzoateHCID 178418339Butyllithium

Product 1

HCID 67504810Tert-butyl 4-[2-[2-[1-(2-ethoxy-2-oxoethyl)cyclopropyl]ethyl]-4-(2-hydroxyphenyl)but-3-enyl]benzoate

Sources & evidence

ORD record
ord-df8e5291d6bc4a4e8b3603f550c2193b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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