Ethanol → HCID 135750268, compound
Reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH3:31][CH2:32][OH:33].[CH3:34][O:35][CH2:36][CH2:37][O:38][CH3:39].[I:11][c:12]1[n:13][n:14]([CH:22]([CH3:23])[CH3:24])[c:15]2[n:16][cH:17][n:18][c:19]([NH2:21])[c:20]12.[Na+:29].[Na+:30].[OH:1][c:2]1[cH:3][cH:4][c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[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)[cH:115][cH:116]1>>[OH:1][c:2]1[cH:3][cH:4][c:5](-[c:12]2[n:13][n:14]([CH:22]([CH3:23])[CH3:24])[c:15]3[n:16][cH:17][n:18][c:19]([NH2:21])[c:20]23)[cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-8e2ce88904514b55a6354de21e9e085e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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