Ethanol → HCID 178431492, compound
Reaction equation
[CH3:22][C:23]1([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28][B:29]([c:30]2[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]2)[O:37]1.[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[CH3:55][CH2:56][OH:57].[Cl:1][c:2]1[n:3][c:4]([C:15]([CH3:16])([CH3:17])[S:18](=[O:19])(=[O:20])[CH3:21])[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:58].[Pd:59]([Cl:60])[Cl:61].[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:2]1(-[c:30]2[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]2)[n:3][c:4]([C:15]([CH3:16])([CH3:17])[S:18](=[O:19])(=[O:20])[CH3:21])[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-41c3e0a999ff460ba8f3d80ea0acbfdb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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