Ethanol → HCID 67254694, compound
Reaction equation
[Br:1][c:2]1[cH:3][s:4][cH:5][c:6]1[Br:7].[C:26](=[O:27])([O-:28])[O-:29].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][CH2:40][OH:41].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH3:8][c:9]1[cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15][c:16]1[B:17]1[O:18][C:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25]1.[Na+:30].[Na+:31].[OH2:42].[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>>[c:2]1(-[c:16]2[c:9]([CH3:8])[cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]2)[cH:3][s:4][cH:5][c:6]1[Br:7]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-66cded1d59bd47bc9b2dae8e464b3f20
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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