Ethanol → HCID 67152537, compound
Reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH2:12]([CH3:13])[c:14]1[c:15]([B:22]([OH:23])[OH:24])[c:16]([CH2:20][CH3:21])[cH:17][cH:18][cH:19]1.[CH3:122][CH2:123][OH:124].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([CH3:8])[cH:7]1.[Na+:29].[Na+:30].[OH2:31].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:2]1(-[c:15]2[c:14]([CH2:12][CH3:13])[cH:19][cH:18][cH:17][c:16]2[CH2:20][CH3:21])[n:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([CH3:8])[cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-359bcccee00a46f1a9db248bd9e2f9ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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