Ethanol → HCID 20692777, compound

HRID 2331062Notes

Reaction equation

HRID 2331062 reaction equation
[Br:23][c:24]1[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[NH2:33])[cH:28][cH:29]1.[CH3:117][CH2:118][OH:119].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1.[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8](-[c:24]2[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[NH2:33])[cH:28][cH:29]2)[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 696964-BromobenzenesulfonamideHCID 18367522[4-(3-Hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]boronic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 20692777HCID 20692777, compound

Sources & evidence

ORD record
ord-dae4a6b7a2da4f35a7d1006f7e6477ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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