Ethanol → HCID 22485624, compound
Reaction equation
[Br:7][c:8]1[n:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]1.[CH2:40]([OH:41])[CH3:42].[CH3:17][O:18][c:19]1[cH:20][c:21]([B:29]([OH:30])[OH:31])[cH:22][c:23]([O:27][CH3:28])[c:24]1[O:25][CH3:26].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:32].[c:33]1([CH3:34])[cH:35][cH:36][cH:37][cH:38][cH:39]1.[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([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)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([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)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([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)[cH:118][cH:119]1>>[c:8]1(-[c:21]2[cH:20][c:19]([O:18][CH3:17])[c:24]([O:25][CH3:26])[c:23]([O:27][CH3:28])[cH:22]2)[n:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]1Participants
9
Sources & evidence
- ORD record
- ord-e3b0edb7bb434f4d986744f010c042a7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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