Ethyl Acetate → 2-(4-Bromo-2-nitrothiophen-3-yl)thiazole
Reaction equation
[Br:1][c:2]1[c:3]([N+:8](=[O:9])[O-:10])[s:4][cH:5][c:6]1[Br:7].[CH2:11]([Sn:12]([CH2:13][CH2:14][CH2:15][CH3:21])([c:16]1[s:17][cH:18][cH:19][n:20]1)[CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH3:28].[CH3:112][CH2:113][O:114][C:115]([CH3:116])=[O:117].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1>>[c:2]1(-[c:16]2[s:17][cH:18][cH:19][n:20]2)[c:3]([N+:8](=[O:9])[O-:10])[s:4][cH:5][c:6]1[Br:7]Participants
6
Sources & evidence
- ORD record
- ord-e5a4ca55af064001845d1a6dc6048bcc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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