Ethanol → HCID 178432532, compound
Reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH3:109][CH2:110][OH:111].[CH3:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[Cl:1][c:2]1[c:3]2[n:11][c:10](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:9][c:4]-2[nH:5][c:6]([CH3:8])[n:7]1.[Na+:50].[Na+:51].[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[OH2:52].[Pd:53].[Pd:54].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1.[n:18]1[cH:19][c:20]([B:24]([OH:25])[OH:26])[cH:21][cH:22][cH:23]1>>[c:2]1(-[c:20]2[cH:19][n:18][cH:23][cH:22][cH:21]2)[c:3]2[n:11][c:10](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:9][c:4]-2[nH:5][c:6]([CH3:8])[n:7]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-64d70a74986e4fc1a3b7c41898d94370
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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