Ethanol → HCID 57474957, compound

HRID 1550513Notes

Reaction equation

HRID 1550513 reaction equation
[CH2:50]([OH:51])[CH3:52].[CH2:53]([CH2:54][O:55][CH3:56])[O:57][CH3:58].[CH:32](=[O:33])[c:34]1[c:35]([B:40]([OH:41])[OH:42])[cH:36][cH:37][cH:38][cH:39]1.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:49].[OH2:59].[c:1]1([N:7]([C:8](=[O:9])[c:10]2[n:11][n:12]([C:16]34[CH2:17][CH:18]5[CH2:19][CH:20]([CH2:21][CH:22]([CH2:23]3)[CH2:24]5)[CH2:25]4)[cH:13][c:14]2[Br:15])[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[c:1]1([N:7]([C:8](=[O:9])[c:10]2[n:11][n:12]([C:16]34[CH2:17][CH:18]5[CH2:19][CH:20]([CH2:21][CH:22]([CH2:23]3)[CH2:24]5)[CH2:25]4)[cH:13][c:14]2-[c:35]2[c:34]([CH:32]=[O:33])[cH:39][cH:38][cH:37][cH:36]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 962Water2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 2921892-Formylphenylboronic acidHCID 4070345HCID 4070345, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 57474957HCID 57474957, compound

Sources & evidence

ORD record
ord-6809fa7c73f24ca9bb88b2a3a7721fc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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