Ethanol → HCID 22271979, compound
Reaction equation
[Br:1][c:2]1[c:3]([OH:25])[c:4]([C:5](=[O:6])[O:7][CH3:8])[c:9]([O:12][CH2:13][CH2:14][CH2:15][CH2:16][NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:10][cH:11]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][OH:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Na+:30].[Na+:31].[OH:32][B:33]([OH:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Pd:57].[c:115]1([P:116]([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130][cH:131][cH:132][cH:133]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[c:2]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:3]([OH:25])[c:4]([C:5](=[O:6])[O:7][CH3:8])[c:9]([O:12][CH2:13][CH2:14][CH2:15][CH2:16][NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:10][cH:11]1Participants
10
Sources & evidence
- ORD record
- ord-c696acd713a247f6a4b988735eac6112
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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