Ethanol → 2-Acetyl-4-(2-propoxy-3,5-di-iso-propylphenyl)-benzo[b]thiophene
Reaction equation
[C:20]([CH3:21])(=[O:22])[c:23]1[cH:24][c:25]2[c:26]([s:27]1)[cH:28][cH:29][cH:30][c:31]2[I:32].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][OH:49].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:16][CH2:17][CH2:18][CH3:19])[c:6]([B:13]([OH:14])[OH:15])[cH:7][c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:39].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([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)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([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)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([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)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:16][CH2:17][CH2:18][CH3:19])[c:6](-[c:31]2[c:25]3[cH:24][c:23]([C:20]([CH3:21])=[O:22])[s:27][c:26]3[cH:28][cH:29][cH:30]2)[cH:7][c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-3b0d40442d51410096ff10b1b1c79bad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…