Benzene → N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(1-methoxyethoxymethyl)-5-phenylthiophene-2-sulfonamide

HRID 198877Notes

Reaction equation

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

Participants

Reactant 9

HCID 11776Triphenylphosphine4×

HCID 19660Carbonate Ion

HCID 23938Palladium

HCID 66827Phenylboronic Acid

HCID 234454475-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(1-methoxyethoxymethyl)thiophene-2-sulfonamide

Product 1

HCID 23445311N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(1-methoxyethoxymethyl)-5-phenylthiophene-2-sulfonamide

Sources & evidence

ORD record: ord-25301aaa54fa4010b922f912513d4679
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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