Methyl 3-mercaptopropionate → Methyl 3-(6-(4-(1-acetylpiperidin-4-yl)thiazol-2-ylamino)-5-phenoxypyridin-3-ylthio)propanoate
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:5]([NH:8][c:9]2[s:10][cH:11][c:12]([CH:14]3[CH2:15][CH2:16][N:17]([C:20]([CH3:21])=[O:22])[CH2:18][CH2:19]3)[n:13]2)[n:6][cH:7]1.[CH2:79]([N:80]([CH:81]([CH3:82])[CH3:83])[CH:84]([CH3:85])[CH3:86])[CH3:87].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:144]1[CH2:145][CH2:146][O:147][CH2:148][CH2:149]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89].[SH:72][CH2:73][CH2:74][C:75](=[O:76])[O:77][CH3:78].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[c:39]3[c:63]([cH:64][cH:65][cH:66]2)[C:60]([CH3:61])([CH3:62])[c:42]2[c:41]([c:46]([P:47]([c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[cH:45][cH:44][cH:43]2)[O:40]3)[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[c:2]1([S:72][CH2:73][CH2:74][C:75](=[O:76])[O:77][CH3:78])[cH:3][c:4]([O:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:5]([NH:8][c:9]2[s:10][cH:11][c:12]([CH:14]3[CH2:15][CH2:16][N:17]([C:20]([CH3:21])=[O:22])[CH2:18][CH2:19]3)[n:13]2)[n:6][cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-6d2b6ddf624347adb51984af402ffc1d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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