Methyl 3-mercaptopropionate → HCID 24826835, compound

HRID 290100Notes

Reaction equation

HRID 290100 reaction equation
[Br:1][c:2]1[c:3]([O:15][c:16]2[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]2[F:22])[cH:4][c:5]([NH:8][c:9]2[s:10][cH:11][c:12]([CH3:14])[n:13]2)[n:6][cH:7]1.[CH2:66]([N:67]([CH:68]([CH3:69])[CH3:70])[CH:71]([CH3:72])[CH3:73])[CH3:74].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:120]=[C:121]([CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1)[CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[O:138]1[CH2:139][CH2:140][O:141][CH2:142][CH2:143]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:82].[Pd:83].[SH:75][CH2:76][CH2:77][C:78](=[O:79])[O:80][CH3:81].[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[c:33]3[c:57]([cH:58][cH:59][cH:60]2)[C:54]([CH3:55])([CH3:56])[c:36]2[c:35]([c:40]([P:41]([c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[cH:39][cH:38][cH:37]2)[O:34]3)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[c:2]1([S:75][CH2:76][CH2:77][C:78](=[O:79])[O:80][CH3:81])[c:3]([O:15][c:16]2[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]2[F:22])[cH:4][c:5]([NH:8][c:9]2[s:10][cH:11][c:12]([CH3:14])[n:13]2)[n:6][cH:7]1

Participants

8

Reactant 7

HCID 18050Methyl 3-mercaptopropionateHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 95417Dibenzylidene acetone3×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 24826754HCID 24826754, compound

Product 1

HCID 24826835HCID 24826835, compound

Sources & evidence

ORD record
ord-2821e8664d824f22a6ff027920e12b32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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