Ethanol → HCID 22176079, compound
Reaction equation
[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][OH:51].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:7]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[n:8]([CH3:13])[c:9](=[O:12])[c:10]2[cH:11]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:52].[OH:27][B:28]([OH:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:7]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[n:8]([CH3:13])[c:9](=[O:12])[c:10]2[cH:11]1Participants
9
Sources & evidence
- ORD record
- ord-a85a821500804ebca5588494f207e176
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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