Ethanol → HCID 22177239, compound
Reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[CH3:132][OH:133].[CH3:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:1][N:2]([CH2:3][CH2:4][CH:5]([C:6]#[N:7])[c:8]1[cH:9][cH:10][c:11]([I:14])[cH:12][cH:13]1)[CH3:15].[CH3:23][CH2:24][OH:25].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:134][CH2:135][Cl:136].[Na+:30].[Na+:31].[OH:32][C:33]([C:34]([OH:35])([CH3:36])[CH3:37])([CH3:38])[CH3:39].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([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)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([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)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1.[n:40]1[cH:41][cH:42][c:43]([B:46]([OH:47])[OH:48])[cH:44][cH:45]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH:5]([C:6]#[N:7])[c:8]1[cH:9][cH:10][c:11](-[c:43]2[cH:42][cH:41][n:40][cH:45][cH:44]2)[cH:12][cH:13]1)[CH3:15]Participants
12
Reactant 11
Product 1
Sources & evidence
- ORD record
- ord-b80958350aa8455fbb36b2734c033557
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…