Ethanol → HCID 17986722, compound
Reaction equation
[Br:7][c:8]1[c:9]([C:14]2=[N:15][C:16]([CH3:31])([CH3:32])[CH2:17][c:18]3[cH:19][c:20]([O:29][CH3:30])[c:21]4[c:22]([c:23]32)[CH2:24][C:25]([CH3:27])([CH3:28])[O:26]4)[cH:10][cH:11][cH:12][cH:13]1.[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[CH3:49][CH2:50][OH:51].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:42].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([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)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1.[n:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1>>[c:8]1(-[c:36]2[cH:35][cH:34][n:33][cH:38][cH:37]2)[c:9]([C:14]2=[N:15][C:16]([CH3:31])([CH3:32])[CH2:17][c:18]3[cH:19][c:20]([O:29][CH3:30])[c:21]4[c:22]([c:23]32)[CH2:24][C:25]([CH3:27])([CH3:28])[O:26]4)[cH:10][cH:11][cH:12][cH:13]1Participants
9
Sources & evidence
- ORD record
- ord-9eea20ea11d7457d825ff5ca445656c7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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