Water → Bis(pentafluorophenyl)borinic acid

HRID 2158191

Reaction equation

HRID 2158191 reaction equation
[Al+3:58].[Al+3:69].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[F:1][c:2]1[c:3]([F:34])[c:4]([F:33])[c:5]([F:32])[c:6]([F:31])[c:7]1[B:8]([c:9]1[c:10]([F:19])[c:11]([F:18])[c:12]([F:17])[c:13]([F:16])[c:14]1[F:15])[c:20]1[c:21]([F:22])[c:23]([F:24])[c:25]([F:26])[c:27]([F:28])[c:29]1[F:30].[OH2:35].[OH2:36].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[OH2:41].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[OH2:47].[OH2:48].[OH2:49].[OH2:50].[OH2:51].[OH2:52].[S:53](=[O:54])([O-:55])([O-:56])=[O:57].[S:59]([O-:60])([O-:61])(=[O:62])=[O:63].[S:64]([O-:65])([O-:66])(=[O:67])=[O:68]>>[F:1][c:2]1[c:3]([F:34])[c:4]([F:33])[c:5]([F:32])[c:6]([F:31])[c:7]1[B:8]([c:9]1[c:10]([F:19])[c:11]([F:18])[c:12]([F:17])[c:13]([F:16])[c:14]1[F:15])[OH:54]

Participants

6

Reactant 5

HCID 962Water18×HCID 1117Sulfate Ion3×HCID 1140TolueneHCID 104727Aluminum Cation2×HCID 582056Tris(pentafluorophenyl)borane

Product 1

HCID 9841889Bis(pentafluorophenyl)borinic acid

Sources & evidence

ORD record
ord-506c361344ec413285332335b9d98e89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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