Ethanol → HCID 25093775, compound
Reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][O:40][CH2:41]1.[CH3:25][O:26][c:27]1[n:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[CH3:42][CH2:43][OH:44].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[c:8](=[O:16])[n:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14][CH3:15])[cH:23][n:24]1.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[Pd:51].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[c:2]1(-[c:30]2[cH:29][n:28][c:27]([O:26][CH3:25])[cH:32][cH:31]2)[cH:3][c:4]2[c:5]([n:6][c:7]([N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[c:8](=[O:16])[n:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14][CH3:15])[cH:23][n:24]1Participants
9
Sources & evidence
- ORD record
- ord-5e385c8ddea54ad8b5d4f5c03dd28f4c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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