Ethyl 2-(2-aminothiazol-5-ylthio)acetate → HCID 57668318, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[N:15]([c:16]2[cH:17][c:18]([C:22]([NH:23][CH:24]([CH3:25])[CH3:26])=[O:27])[cH:19][cH:20][cH:21]2)[CH2:28][CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[s:11]1)=[O:34].[CH2:84]([O:85][C:86](=[O:87])[CH2:88][S:89][c:90]1[s:91][c:92]([NH2:93])[n:94][cH:95]1)[CH3:96].[CH:35]1([CH2:36][N:37]([c:38]2[cH:39][cH:40][c:41]([S:42]([CH3:43])(=[O:44])=[O:45])[cH:46][cH:47]2)[C:48](=[O:49])[NH:50][c:51]2[s:52][cH:53][c:54]([CH2:55][C:56]([OH:57])=[O:58])[n:59]2)[CH2:60][CH2:61][CH2:62][CH2:63]1.[CH:64]1([CH2:65][CH2:66][NH:67][c:68]2[cH:69][c:70]([C:74]([NH:75][CH:76]([CH3:77])[CH3:78])=[O:79])[cH:71][cH:72][cH:73]2)[CH2:80][CH2:81][CH2:82][CH2:83]1>>[O:3]=[C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[N:15]([c:16]2[cH:17][c:18]([C:22]([NH:23][CH:24]([CH3:25])[CH3:26])=[O:27])[cH:19][cH:20][cH:21]2)[CH2:28][CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[s:11]1)[OH:34]Participants
5
Sources & evidence
- ORD record
- ord-af12c4f62ebb430db15fdf3558ea4725
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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