Ethanol → HCID 67013428, compound
Reaction equation
[C:11](=[O:12])([O-:13])[O-:14].[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][c:25]1[n:26][n:27]([CH2:31][CH2:32][N:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[cH:28][c:29]1[Br:30].[CH3:127][CH2:128][O:129][C:130](=[O:131])[CH3:132].[CH3:39][CH2:40][OH:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[F:1][c:2]1[cH:3][c:4]([B:8]([OH:9])[OH:10])[cH:5][cH:6][cH:7]1.[K+:15].[K+:16].[OH2:126].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[F:1][c:2]1[cH:3][c:4](-[c:29]2[c:25]([O:24][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[n:26][n:27]([CH2:31][CH2:32][N:33]3[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]3)[cH:28]2)[cH:5][cH:6][cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-527f94f648c64d2f8e4d42b8976109e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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