Potassium Cation → HCID 75628503, compound

HRID 1226659Notes

Reaction equation

HRID 1226659 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][OH:10])[NH:11][C:12](=[O:13])[CH:14]2[CH:15]([c:17]3[s:18][cH:19][cH:20][cH:21]3)[CH2:16]2)[cH:6][cH:7]1.[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[K+:27].[K+:28].[K+:29].[N:40]#[N:41].[Na+:43].[OH-:42].[OH2:50].[P:22]([O-:23])([O-:24])([O-:25])=[O:26].[c:30]1([CH3:39])[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([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)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([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)[cH:126][cH:127]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([CH3:39])[cH:35][cH:34]2)[cH:3][cH:4][c:5]([CH:8]([CH2:9][OH:10])[NH:11][C:12](=[O:13])[CH:14]2[CH:15]([c:17]3[s:18][cH:19][cH:20][cH:21]3)[CH2:16]2)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 813Potassium Cation3×HCID 923Sodium ionHCID 947NitrogenHCID 961HydroxideHCID 962WaterHCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 79799Tolylboronic acidHCID 178420554HCID 178420554, compoundHCID 178523435HCID 178523435, compound

Product 1

HCID 75628503HCID 75628503, compound

Sources & evidence

ORD record
ord-97d41daa96e64ad6bf9d9d43cbc9a693
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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