Ethanol → HCID 69156849, compound

HRID 2130372Notes

Reaction equation

[CH3:133][CH2:134][OH:135].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH2:23][c:24]2[cH:25][c:26]3[c:27]([cH:31][cH:32]2)[O:28][CH2:29][O:30]3)[c:7](=[O:22])[c:8]2[cH:9][cH:10][c:11]([Br:21])[cH:12][c:13]2[c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[OH2:132].[OH:33][B:34]([OH:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]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>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH2:23][c:24]2[cH:25][c:26]3[c:27]([cH:31][cH:32]2)[O:28][CH2:29][O:30]3)[c:7](=[O:22])[c:8]2[cH:9][cH:10][c:11](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:12][c:13]2[c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

Reactant 8

HCID 19660Carbonate Ion

HCID 66827Phenylboronic Acid

HCID 10239063HCID 10239063, compound

HCID 178420554HCID 178420554, compound

Product 1

HCID 69156849HCID 69156849, compound

Sources & evidence

ORD record: ord-a54ffd8c1a8f4da6a2265ba60f0a838a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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