Ethanol → HCID 86756255, compound
Reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][CH2:37][OH:38].[Cs+:43].[Cs+:44].[I:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][C:7]([CH3:12])([CH3:13])[CH2:6][CH:5]2[CH2:14][NH:15][S:16](=[O:17])(=[O:18])[CH2:19][CH3:20].[Pd:121].[c:102]1([P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117][cH:118][cH:119][cH:120]1.[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98][cH:99][cH:100][cH:101]1.[s:21]1[c:22]([B:26]([OH:27])[OH:28])[cH:23][cH:24][cH:25]1>>[c:2]1(-[c:22]2[s:21][cH:25][cH:24][cH:23]2)[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][C:7]([CH3:12])([CH3:13])[CH2:6][CH:5]2[CH2:14][NH:15][S:16](=[O:17])(=[O:18])[CH2:19][CH3:20]Participants
9
Sources & evidence
- ORD record
- ord-7860d5df86fe4642bb96bf4ff56c12a9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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