Ethanol → HCID 178435809, compound
Reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:61][CH2:62][OH:63].[CH:37]1([n:40]2[c:41](=[O:47])[cH:42][c:43]([I:46])[cH:44][cH:45]2)[CH2:38][CH2:39]1.[Na+:52].[Na+:53].[OH2:64].[OH2:65].[OH:1][C:2]([CH2:3][C:4]1([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:5][CH2:6][CH2:7][N:8]([CH:12]([CH3:13])[c:14]2[cH:15][cH:16][c:17]([B:20]3[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]3)[cH:18][cH:19]2)[C:9](=[O:11])[O:10]1)([CH3:35])[CH3:36].[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([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)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[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)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[OH:1][C:2]([CH2:3][C:4]1([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:5][CH2:6][CH2:7][N:8]([CH:12]([CH3:13])[c:14]2[cH:15][cH:16][c:17](-[c:43]3[cH:42][c:41](=[O:47])[n:40]([CH:37]4[CH2:38][CH2:39]4)[cH:45][cH:44]3)[cH:18][cH:19]2)[C:9](=[O:11])[O:10]1)([CH3:35])[CH3:36]Participants
9
Sources & evidence
- ORD record
- ord-0e7aec1f05044af783a526351c1e64b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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