Bromide ion → 2-(4-Nitrophenyl)thiophene
Reaction equation
[Br-:29].[Br:1][c:2]1[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[CH2:11]([Sn:12]([CH2:13][CH2:14][CH2:15][CH3:21])([c:16]1[s:17][cH:18][cH:19][cH:20]1)[CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH3:28].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[K+:30].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([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)([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)([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)[cH:113][cH:114]1>>[c:2]1(-[c:16]2[s:17][cH:18][cH:19][cH:20]2)[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-09cdcc0fbd3e492abe8349f945a71367
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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