Ethyl Acetate → Benzoxazole, 5-nitro-2-(2-thienyl)-
Reaction equation
[CH2:14]([Sn:15]([CH2:16][CH2:17][CH2:18][CH3:24])([c:19]1[s:20][cH:21][cH:22][cH:23]1)[CH2:25][CH2:26][CH2:27][CH3:28])[CH2:29][CH2:30][CH3:31].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[Cl:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]2.[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([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)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[c:2]1(-[c:19]2[s:20][cH:21][cH:22][cH:23]2)[o:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]2Participants
6
Sources & evidence
- ORD record
- ord-8ca6766fa61445378432a46050b86b97
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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