Ethanol → HCID 44465600, compound
Reaction equation
[Br:1][c:2]1[n:3](-[c:13]2[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]1[C:11]#[N:12].[C:28](=[O:29])([O-:30])[O-:31].[CH2:111]1[O:112][CH2:113][CH2:114][CH2:115]1.[CH3:116][CH2:117][OH:118].[K+:32].[K+:33].[OH2:119].[Pd:34].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:54]1([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)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([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)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([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)[cH:106][cH:107][cH:108][cH:109][cH:110]1.[s:20]1[cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]1>>[c:2]1(-[c:22]2[cH:21][s:20][cH:24][cH:23]2)[n:3](-[c:13]2[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]1[C:11]#[N:12]Participants
10
Sources & evidence
- ORD record
- ord-b0d3be0126de4919bba501890231523a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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