Ethyl Acetate → HCID 67315848, compound
Reaction equation
[CH3:83][CH2:84][O:85][C:86]([CH3:87])=[O:88].[CH:109](=[CH:110][C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)=[O:120])[c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[CH:127](=[CH:128][C:129]([CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1)=[O:138])[c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[CH:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH2:65][CH3:66])([CH3:67])[CH3:68].[CH:91](=[CH:92][C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)=[O:102])[c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[F:69][c:70]1[cH:71][c:72]([SH:76])[cH:73][cH:74][cH:75]1.[I:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH:8]([CH2:12][N:13]1[CH2:14][CH:15]([OH:17])[CH2:16]1)[CH2:7][CH2:6][CH2:5]2.[O:77]1[CH2:78][CH2:79][O:80][CH2:81][CH2:82]1.[Pd:89].[Pd:90].[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[c:27]3[c:51]([cH:52][cH:53][cH:54]2)[C:48]([CH3:49])([CH3:50])[c:30]2[c:29]([c:34]([P:35]([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:33][cH:32][cH:31]2)[O:28]3)[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[c:2]1([S:76][c:72]2[cH:71][c:70]([F:69])[cH:75][cH:74][cH:73]2)[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH:8]([CH2:12][N:13]1[CH2:14][CH:15]([OH:17])[CH2:16]1)[CH2:7][CH2:6][CH2:5]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-477d1dba70954eca830111a338693dcb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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