Ethanol → 3-[3-(2-Benzoimidazol-1-ylacetyl)phenyl]-5-iso-butyl-N-tert-butylthiophene-2-sulfonamide
Reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH2:20]([CH:21]([CH3:22])[CH3:23])[c:24]1[cH:25][c:26]([B:37]([OH:38])[OH:39])[c:27]([S:29](=[O:30])(=[O:31])[NH:32][C:33]([CH3:34])([CH3:35])[CH3:36])[s:28]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][OH:55].[Na+:44].[Na+:45].[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1.[n:1]1([CH2:10][C:11](=[O:12])[c:13]2[cH:14][c:15]([Br:19])[cH:16][cH:17][cH:18]2)[cH:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH2:10][C:11](=[O:12])[c:13]2[cH:14][c:15](-[c:26]3[cH:25][c:24]([CH2:20][CH:21]([CH3:22])[CH3:23])[s:28][c:27]3[S:29](=[O:30])(=[O:31])[NH:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:16][cH:17][cH:18]2)[cH:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-1e38124dad0a47dbad8ee0b16011ad09
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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