Bromide ion → Ethyl 3-methyl-7-(4,5,6,7-tetrahydro-4,4,7,7-tetramethylbenzo[b]thien-2-yl)-2,4,6-octatrienoate

HRID 164815Notes

Reaction equation

HRID 164815 reaction equation
[Br-:1].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:2][C:3]1([CH3:35])[CH2:4][CH2:5][C:6]([CH3:33])([CH3:34])[c:7]2[s:8][c:9]([CH:12]([CH3:13])[P+:14]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:10][c:11]21.[CH3:49][OH:50].[CH:36](=[O:37])[CH:38]=[CH:39][C:40](=[CH:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH3:47].[OH2:48]>>[CH3:2][C:3]1([CH3:35])[CH2:4][CH2:5][C:6]([CH3:33])([CH3:34])[c:7]2[s:8][c:9]([C:12]([CH3:13])=[CH:36][CH:38]=[CH:39][C:40](=[CH:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH3:47])[cH:10][c:11]21

Participants

7

Reactant 6

HCID 259Bromide ionHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 23049225Triphenyl-[1-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzothiophen-2-yl)ethyl]phosphaniumHCID 54439227Ethyl 5-formyl-3-methyl-2,4-pentadienoate

Product 1

HCID 53882835Ethyl 3-methyl-7-(4,5,6,7-tetrahydro-4,4,7,7-tetramethylbenzo[b]thien-2-yl)-2,4,6-octatrienoate

Sources & evidence

ORD record
ord-a418de1d8ec346879e6f965b1a01ba4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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