HCID 18925218, compound → HCID 54174994, compound
Reaction equation
[CH2:1]([CH:2]=[CH:3][CH2:4][CH3:5])[n:6]1[c:7](=[O:25])[nH:8][c:9](=[O:24])[c:10]([CH:21]([CH3:22])[CH3:23])[c:11]1[S:12][c:13]1[cH:14][c:15]([CH3:20])[cH:16][c:17]([CH3:19])[cH:18]1.[CH2:26]([n:27]1[c:28]([S:29][c:30]2[cH:31][c:32]([CH3:33])[cH:34][c:35]([CH3:36])[cH:37]2)[c:38]([CH:39]([CH3:40])[CH3:41])[c:42](=[O:43])[nH:44][c:45]1=[O:46])[CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH2:82]([n:83]1[c:84]([S:85][c:86]2[cH:87][c:88]([CH3:89])[cH:90][c:91]([CH3:92])[cH:93]2)[c:94]([CH:95]([CH3:96])[CH3:97])[c:98](=[O:99])[nH:100][c:101]1=[O:102])[C:103]#[C:104][CH3:105].[CH3:55][O:56][C:57]([CH:58]=[CH:59][CH2:60][n:61]1[c:62]([S:63][c:64]2[cH:65][c:66]([CH3:67])[cH:68][c:69]([CH3:70])[cH:71]2)[c:72]([CH:73]([CH3:74])[CH3:75])[c:76](=[O:77])[nH:78][c:79]1=[O:80])=[O:81].[c:106]1([C:107]#[C:108][CH2:109][n:110]2[c:111]([S:112][c:113]3[cH:114][c:115]([CH3:116])[cH:117][c:118]([CH3:119])[cH:120]3)[c:121]([CH:122]([CH3:123])[CH3:124])[c:125](=[O:126])[nH:127][c:128]2=[O:129])[cH:130][cH:131][cH:132][cH:133][cH:134]1>>[CH2:1]([CH:2]=[CH:3][CH3:4])[n:6]1[c:7](=[O:25])[nH:8][c:9](=[O:24])[c:10]([CH:21]([CH3:22])[CH3:23])[c:11]1[S:12][c:13]1[cH:14][c:15]([CH3:20])[cH:16][c:17]([CH3:19])[cH:18]1Participants
6
Sources & evidence
- ORD record
- ord-0a4a5de9458c485e92f1f830f47e443e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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