Sodium ion → HCID 21055504, compound

HRID 168129Notes

Reaction equation

HRID 168129 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[I:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([C:10]([NH:11][CH2:12][CH2:13][NH:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)=[O:23])[NH:24][C:25]([c:26]2[cH:27][c:28]([CH3:32])[cH:29][cH:30][cH:31]2)=[O:33])[cH:6][cH:7]1.[Na+:53].[Na+:54].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[OH2:132].[c:40]1([B:46]([OH:47])[OH:48])[cH:41][cH:42][cH:43][cH:44][cH:45]1.[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:2]1(-[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:3][cH:4][c:5]([CH2:8][CH:9]([C:10]([NH:11][CH2:12][CH2:13][NH:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)=[O:23])[NH:24][C:25]([c:26]2[cH:27][c:28]([CH3:32])[cH:29][cH:30][cH:31]2)=[O:33])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 66827Phenylboronic AcidHCID 21055510HCID 21055510, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 21055504HCID 21055504, compound

Sources & evidence

ORD record
ord-bfe04f8d3f5941c99718da64cbe233c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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