Ethanol → 4-[2-[1-(Oxiran-2-ylmethoxy)ethyl]phenyl]benzonitrile
Reaction equation
[Br:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][CH2:11][CH:12]2[O:13][CH2:14]2)[cH:4][cH:5][cH:6][cH:7]1.[C:21](#[N:22])[c:23]1[cH:24][cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][CH2:40][OH:41].[Na+:15].[Na+:16].[O-:17][C:18](=[O:19])[O-:20].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([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)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([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)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[c:2]1(-[c:26]2[cH:25][cH:24][c:23]([C:21]#[N:22])[cH:28][cH:27]2)[c:3]([CH:8]([CH3:9])[O:10][CH2:11][CH:12]2[O:13][CH2:14]2)[cH:4][cH:5][cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-abc07a91920e4c50bf185d6af897088f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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