Bromide ion → HCID 54476890, compound
Reaction equation
[Al+3:5].[Br-:59].[Br-:61].[Br:10][c:11]1[cH:12][cH:13][c:14]([C:17]#[C:18][CH2:19][OH:20])[cH:15][cH:16]1.[C:34]([P:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[C:40]([CH3:41])([CH3:42])[CH3:43])([CH3:44])([CH3:45])[CH3:46].[CH2:47]1[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[CH3:123][OH:124].[CH3:1][O-:2].[CH3:21][CH2:22][O:23][C:24](=[O:25])[CH3:26].[CH:118]([Cl:119])([Cl:120])[Cl:121].[ClH:53].[H-:4].[H-:7].[H-:8].[H-:9].[I:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[Li+:6].[Na+:3].[O:100]=[C:101]([CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1)[CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[O:64]=[C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[OH2:122].[Pd:62].[Pd:63].[Zn+2:60]>>[Br:10][c:11]1[cH:12][cH:13][c:14]([C:17](=[CH:18][CH2:19][OH:20])[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:15][cH:16]1Participants
20
Reactant 19
HCID 259Bromide ion2×
HCID 313Hydrochloric Acid
HCID 887Methanol
HCID 923Sodium ion
HCID 962Water
HCID 6212Chloroform
HCID 8028Tetrahydrofuran
HCID 8078Cyclohexane
HCID 8857Ethyl Acetate
HCID 11575Iodobenzene
HCID 23938Palladium2×
HCID 28486Lithium ion
HCID 32051Zinc(2+)
HCID 83681Tris(1,1-dimethylethyl)phosphine
HCID 95417Dibenzylidene acetone3×
HCID 104727Aluminum Cation
HCID 166653Hydride4×
HCID 3826051Methoxide
HCID 40481813-(4-bromophenyl)prop-2-yn-1-olProduct 1
Sources & evidence
- ORD record
- ord-e14150a281f94fe3b6318e6672e77731
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…