Bromide ion → 6-Bromo-8-vinyl-2,2,4,4-tetramethyl-chroman

HRID 2125530Notes

Reaction equation

HRID 2125530 reaction equation
[Br-:72].[Br:55][c:56]1[cH:57][c:58]2[c:63]([c:64]([CH:66]=[O:67])[cH:65]1)[O:62][C:61]([CH3:68])([CH3:69])[CH2:60][C:59]2([CH3:70])[CH3:71].[CH2:1]=[P:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH2:21]([O:22][C:23](=[O:24])[c:25]1[cH:26][cH:27][c:28]([C:29]#[C:30][c:31]2[cH:32][cH:33][c:34]3[c:45]([cH:46]2)[C:42]([CH3:43])([CH3:44])[CH2:41][CH2:40][CH:35]3[NH:36][CH:37]2[CH2:38][CH2:39]2)[cH:47][cH:48]1)[CH3:49].[CH2:50]([Li:51])[CH2:52][CH2:53][CH3:54].[CH3:73][P+:74]([c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)([c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[CH3:93][CH2:94][CH2:95][CH2:96][CH2:97][CH3:98]>>[CH2:1]=[CH:66][c:64]1[c:63]2[c:58]([cH:57][c:56]([Br:55])[cH:65]1)[C:59]([CH3:70])([CH3:71])[CH2:60][C:61]([CH3:68])([CH3:69])[O:62]2

Participants

8

Reactant 7

HCID 259Bromide ionHCID 8058HexaneHCID 74506TriphenylmethylphosphoniumHCID 137960MethylenetriphenylphosphoraneHCID 129717084-(5-Cyclopropylamino-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-benzoic acid ethyl esterHCID 225689466-Bromo-2,2,4,4-tetramethyl chroman-8-carbaldehydeHCID 178418339Butyllithium

Product 1

HCID 225689226-Bromo-8-vinyl-2,2,4,4-tetramethyl-chroman

Sources & evidence

ORD record
ord-1088ec0c18784a86b39935d4567252f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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