Ethanol → HCID 178432674, compound
Reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:104][CH2:105][OH:106].[CH3:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[CH3:18][B:19]([OH:20])[OH:21].[CH:50](=[CH:51][C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)=[O:61])[c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH:68](=[CH:69][C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)=[O:79])[c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH:86](=[CH:87][C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)=[O:97])[c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Cl:1][c:2]1[c:3]2[n:11][c:10](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:9][c:4]-2[nH:5][c:6]([CH3:8])[n:7]1.[Na+:45].[Na+:46].[OH2:47].[Pd:48].[Pd:49].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[c:2]1([CH3:18])[c:3]2[n:11][c:10](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:9][c:4]-2[nH:5][c:6]([CH3:8])[n:7]1Participants
11
Sources & evidence
- ORD record
- ord-b7de19b34ebf4f06b87984226b8b05f0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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