Potassium Cation → {5-[1-Biphenyl-4-ylmethyl-6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzoimidazol-2-yloxy]-2-methyl-phenyl}-phosphonic acid diethyl ester

HRID 2154965Notes

Reaction equation

HRID 2154965 reaction equation
[C:54](=[O:55])([O-:56])[O-:57].[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[c:9]1[c:10]([CH3:40])[cH:11][cH:12][c:13]([O:15][c:16]2[n:17][c:18]3[c:19]([n:20]2[CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:26][cH:27]2)[cH:34][c:35]([Cl:39])[c:36]([I:38])[cH:37]3)[cH:14]1.[CH3:41][n:42]1[cH:43][cH:44][c:45]2[cH:46][c:47]([B:51]([OH:52])[OH:53])[cH:48][cH:49][c:50]12.[K+:58].[K+:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[Pd:66].[c:105]1([P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120][cH:121][cH:122][cH:123]1.[c:124]1([P:125]([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139][cH:140][cH:141][cH:142]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[c:9]1[c:10]([CH3:40])[cH:11][cH:12][c:13]([O:15][c:16]2[n:17][c:18]3[c:19]([n:20]2[CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:26][cH:27]2)[cH:34][c:35]([Cl:39])[c:36](-[c:47]2[cH:46][c:45]4[cH:44][cH:43][n:42]([CH3:41])[c:50]4[cH:49][cH:48]2)[cH:37]3)[cH:14]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 11776Triphenylphosphine4×HCID 19660Carbonate IonHCID 23938PalladiumHCID 27598671-Methyl-1H-indole-5-boronic acidHCID 86761791[5-(1-Biphenyl-4-ylmethyl-6-chloro-5-iodo-1H-benzoimidazol-2-yloxy)-2-methyl-phenyl]-phosphonic acid diethyl ester

Product 1

HCID 86761792{5-[1-Biphenyl-4-ylmethyl-6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzoimidazol-2-yloxy]-2-methyl-phenyl}-phosphonic acid diethyl ester

Sources & evidence

ORD record
ord-52870a3662e74fa8aeb30edb8451a0c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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