Hydrochloric Acid → 2-(4-Methoxyphenyl)-5-pentylthiophene
Reaction equation
[Br:1][c:2]1[s:3][c:4]([CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[cH:5][cH:6]1.[CH2:107]([CH2:108][O:109][CH3:110])[O:111][CH3:112].[CH3:12][O:13][c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1.[ClH:29].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106]1>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([O:13][CH3:12])[cH:19][cH:18]2)[s:3][c:4]([CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[cH:5][cH:6]1Participants
8
Sources & evidence
- ORD record
- ord-f8930c606ecc4aeb8fe4d6f96514c1d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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