Ethanol → 2-Bromo-5-phenyl-1,3,4-thiadiazole
Reaction equation
[Br:10][c:11]1[s:12][c:13]([Br:16])[n:14][n:15]1.[CH3:114][CH2:115][O:116][C:117](=[O:118])[CH3:119].[CH3:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH3:30][CH2:31][OH:32].[Cl:111][CH2:112][Cl:113].[Na+:17].[Na+:18].[O-:19][C:20](=[O:21])[O-:22].[OH2:33].[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([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)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)[cH:109][cH:110]1>>[c:4]1(-[c:13]2[s:12][c:11]([Br:10])[n:15][n:14]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-27852087f05044c393b97fe3fa052b15
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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