Ethyl Acetate → HCID 57460112, compound
Reaction equation
[Br:1][c:2]1[c:3]([CH3:27])[n:4][c:5]([S:24][CH2:25][CH3:26])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8].[C:37](=[O:38])([O-:39])[O-:40].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cs+:41].[Cs+:42].[OH:28][B:29]([OH:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[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>>[c:2]1(-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:3]([CH3:27])[n:4][c:5]([S:24][CH2:25][CH3:26])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8]Participants
8
Sources & evidence
- ORD record
- ord-1d0a35848a004bdfa4cd6370a1f52609
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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