Water → Tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-phenylmethoxy-4-[1,1,4-trioxo-5-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-2-yl]phenyl]propanoate

HRID 291440Notes

Reaction equation

HRID 291440 reaction equation
[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11]([CH:12]([CH2:13][I:14])[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23].[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[O:31][c:32]1[c:33]([N:39]2[CH2:40][C:41](=[O:52])[N:42]([CH2:46][CH2:47][Si:48]([CH3:49])([CH3:50])[CH3:51])[S:43]2(=[O:44])=[O:45])[cH:34][cH:35][c:36]([I:38])[cH:37]1.[Cl:1][Si:2]([CH3:3])([CH3:4])[CH3:5].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:137].[Pd:81].[Pd:82].[Zn:80].[c:53]1([CH3:54])[cH:55][cH:56][cH:57][cH:58][c:59]1[P:60]([c:61]1[cH:62][cH:63][cH:64][cH:65][c:66]1[CH3:67])[c:68]1[cH:69][cH:70][cH:71][cH:72][c:73]1[CH3:74]>>[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11]([CH:12]([CH2:13][c:36]1[cH:35][cH:34][c:33]([N:39]2[CH2:40][C:41](=[O:52])[N:42]([CH2:46][CH2:47][Si:48]([CH3:49])([CH3:50])[CH3:51])[S:43]2(=[O:44])=[O:45])[c:32]([O:31][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:37]1)[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23]

Participants

10

Reactant 9

HCID 962WaterHCID 6228DimethylformamideHCID 6397ChlorotrimethylsilaneHCID 23938Palladium2×HCID 23994ZincHCID 80271Tri-o-tolylphosphineHCID 95417Dibenzylidene acetone3×HCID 667569375-(2-Benzyloxy-4-iodophenyl)-1,1-dioxo-2-(2-trimethylsilanylethyl)-1,2,5-thiadiazolidin-3-oneHCID 76190405Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, 1,1-dimethylethyl ester

Product 1

HCID 68996807Tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-phenylmethoxy-4-[1,1,4-trioxo-5-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-2-yl]phenyl]propanoate

Sources & evidence

ORD record
ord-16e9f8ee657c43c9ab21b9d608268e04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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