Ethanol → HCID 24889909, compound
Reaction equation
[Br:1][c:2]1[cH:3][n:4]([CH2:20][CH2:21][O:22][CH3:23])[c:5](=[N:7][C:8](=[O:9])[C:10]23[CH2:11][CH:12]4[CH2:13][CH:14]([CH2:15][CH:16]([CH2:17]2)[CH2:18]4)[CH2:19]3)[s:6]1.[C:24](#[N:25])[c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[CH3:48][CH2:49][OH:50].[Na+:39].[Na+:40].[OH2:47].[Pd:51]([Cl:52])[Cl:53].[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]([C:24]#[N:25])[cH:31][cH:30]2)[cH:3][n:4]([CH2:20][CH2:21][O:22][CH3:23])[c:5](=[N:7][C:8](=[O:9])[C:10]23[CH2:11][CH:12]4[CH2:13][CH:14]([CH2:15][CH:16]([CH2:17]2)[CH2:18]4)[CH2:19]3)[s:6]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-9965d3934fae4f7780d1f2105f080fc5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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