Ethanol → HCID 22563278, compound
Reaction equation
[Br:18][c:19]1[cH:20][cH:21][c:22]([NH:25][CH2:26][C:27]([CH3:28])([NH2:29])[CH3:30])[n:23][cH:24]1.[C:12](=[O:13])([O-:14])[O-:15].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[CH3:31][CH2:32][OH:33].[CH3:34][O:35][CH2:36][CH2:37][O:38][CH3:39].[Na+:16].[Na+:17].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:19]2[cH:20][cH:21][c:22]([NH:25][CH2:26][C:27]([CH3:28])([NH2:29])[CH3:30])[n:23][cH:24]2)[cH:7][cH:8]1Participants
8
Sources & evidence
- ORD record
- ord-9997aa8e846d4e74a3ca8f6198d7f183
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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