Ethanol → HCID 66942232, compound
Reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:14][C:15]([CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])([CH3:21])[NH:22][S:23](=[O:24])(=[O:25])[c:26]1[cH:27][n:28][c:29]([Cl:32])[cH:30][cH:31]1.[CH3:1][O:2][c:3]1[c:4]([B:11]([OH:12])[OH:13])[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1.[CH3:46][CH2:47][OH:48].[K+:37].[K+:38].[Pd:49].[c:107]1([P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:39]1([CH3:40])[cH:41][cH:42][cH:43][cH:44][cH:45]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[CH3:1][O:2][c:3]1[c:4](-[c:29]2[n:28][cH:27][c:26]([S:23]([NH:22][C:15]([CH3:14])([CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH3:21])(=[O:24])=[O:25])[cH:31][cH:30]2)[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1Participants
9
Sources & evidence
- ORD record
- ord-1d00c9abf5764a6cb44003444f2b1182
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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