Ethanol → HCID 22492950, compound
Reaction equation
[CH2:37]([OH:38])[CH3:39].[CH3:40][CH2:41][O-:42].[CH:32](=[O:33])[O:34][CH2:35][CH3:36].[CH:44]([O:45][CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[I:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([N:19]4[CH2:20][CH2:21][N:22]([CH:25]5[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]5)[CH2:23][CH2:24]4)[cH:17][cH:18]3)[s:12]2)[cH:6][cH:7]1.[Na+:43].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[Pd:56]([Cl:57])[Cl:58].[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1>>[c:2]1([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([N:19]4[CH2:20][CH2:21][N:22]([CH:25]5[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]5)[CH2:23][CH2:24]4)[cH:17][cH:18]3)[s:12]2)[cH:6][cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-18cd01c7827b4ac4a2cca2f6cee74c75
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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