Ethyl Acetate → HCID 54356323, compound
Reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]2[c:12]([c:13]([CH3:28])[c:14]([O:26][CH3:27])[c:15]1[CH2:16][CH:17]=[C:18]([CH2:19][CH2:20][C:21](=[O:22])[O:23][CH3:24])[CH3:25])[CH2:11][O:10][C:9]2=[O:29])(=[O:30])=[O:31].[K:32][C:33]#[N:34].[Pd:47].[c:105]1([P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120][cH:121][cH:122][cH:123]1.[c:48]1([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)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([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)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([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)[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[c:7]1([C:33]#[N:34])[c:8]2[c:12]([c:13]([CH3:28])[c:14]([O:26][CH3:27])[c:15]1[CH2:16][CH:17]=[C:18]([CH2:19][CH2:20][C:21](=[O:22])[O:23][CH3:24])[CH3:25])[CH2:11][O:10][C:9]2=[O:29]Participants
7
Sources & evidence
- ORD record
- ord-f0935e6961424948b99d13f6d9db0433
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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