Chloride → (6-Chloro-2',6'-dimethylbiphenyl-3-yl)methanol
Reaction equation
[Al+3:52].[Br:1][c:2]1[cH:3][c:4]([C:9]([O:10][CH3:11])=[O:12])[cH:5][cH:6][c:7]1[Cl:8].[CH2:134]1[O:135][CH2:136][CH2:137][CH2:138]1.[CH2:139]([CH2:140][O:141][CH3:142])[O:143][CH3:144].[CH3:13][c:14]1[cH:15][cH:16][cH:17][c:18]([CH3:19])[c:20]1[B:21]([OH:22])[OH:23].[CH3:145][CH2:146][OH:147].[Cl-:25].[Cl:32][c:33]1[cH:34][cH:35][c:36]([C:47](=[O:48])[O:49][CH3:50])[cH:37][c:38]1-[c:39]1[c:40]([CH3:46])[cH:41][cH:42][cH:43][c:44]1[CH3:45].[H-:51].[H-:54].[H-:55].[H-:56].[Li+:24].[Li+:53].[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[OH2:148].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[Cl:32][c:33]1[cH:34][cH:35][c:36]([CH2:47][OH:48])[cH:37][c:38]1-[c:39]1[c:40]([CH3:46])[cH:41][cH:42][cH:43][c:44]1[CH3:45]Participants
15
Reactant 14
HCID 312Chloride
HCID 702Ethanol
HCID 923Sodium ion2×
HCID 962Water
HCID 8028Tetrahydrofuran
HCID 80711,2-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 28486Lithium ion2×
HCID 104727Aluminum Cation
HCID 166653Hydride4×
HCID 5833222,6-Dimethylphenylboronic acid
HCID 22352523Methyl 3-bromo-4-chlorobenzoate
HCID 67253049Methyl 6-chloro-2',6'-dimethylbiphenyl-3-carboxylate
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-30af7e366c33414a83c429db7406dab3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…