Ethanol → HCID 59134891, compound
Reaction equation
[CH3:122][CH2:123][OH:124].[CH3:17][c:18]1[c:19]([B:29]([OH:30])[OH:31])[cH:20][cH:21][c:22](-[n:24]2[n:25][cH:26][cH:27][cH:28]2)[cH:23]1.[CH3:1][n:2]1[n:3][cH:4][c:5]2[n:6][c:7]([CH3:16])[cH:8][c:9]([N:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[c:10]12.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[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>>[CH3:1][n:2]1[n:3][c:4](-[c:19]2[c:18]([CH3:17])[cH:23][c:22](-[n:24]3[n:25][cH:26][cH:27][cH:28]3)[cH:21][cH:20]2)[c:5]2[n:6][c:7]([CH3:16])[cH:8][c:9]([N:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[c:10]12Participants
8
Sources & evidence
- ORD record
- ord-38149b508d7743bca9b084a69cc49387
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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