Ethanol → HCID 178437897, compound
Reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][CH2:56][OH:57].[Cl:1][c:2]1[c:3](-[n:10]2[nH:11][c:12]([CH2:28][CH3:29])[c:13]3[c:18](=[O:19])[n:17][c:16]([CH2:20][c:21]4[cH:22][cH:23][c:24]([Br:27])[cH:25][cH:26]4)[n:15][c:14]2-3)[c:4]([Cl:9])[cH:5][c:6]([Cl:8])[cH:7]1.[Na+:45].[Na+:46].[OH2:47].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([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)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[Cl:1][c:2]1[c:3](-[n:10]2[nH:11][c:12]([CH2:28][CH3:29])[c:13]3[c:18](=[O:19])[n:17][c:16]([CH2:20][c:21]4[cH:22][cH:23][c:24](-[c:35]5[cH:34][cH:33][c:32]([O:31][CH3:30])[cH:37][cH:36]5)[cH:25][cH:26]4)[n:15][c:14]2-3)[c:4]([Cl:9])[cH:5][c:6]([Cl:8])[cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-a2ca1ff6026d4a32b815453bc89210d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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