Toluene → Tert-butyl 2-(1-phenylpyrazol-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

HRID 204963

Reaction equation

HRID 204963 reaction equation
[Br:16][c:17]1[cH:18][n:19][n:20](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:21]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][NH:12][CH2:13][CH:14]2[CH2:15]1.[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[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: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.[Pd:81].[Pd:82].[cH:28]1[cH:29][cH:30][c:31]([P:32]([c:33]2[cH:34][cH:35][c:36]3[c:37]([cH:38][cH:39][cH:40][cH:41]3)[c:42]2-[c:43]2[c:44]3[c:45]([cH:46][cH:47][cH:48][cH:49]3)[cH:50][cH:51][c:52]2[P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][N:12]([c:17]3[cH:18][n:19][n:20](-[c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:21]3)[CH2:13][CH:14]2[CH2:15]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 634876Binap, (A+-)-HCID 7868114-Bromo-1-phenyl-1H-pyrazoleHCID 4142526Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate

Product 1

HCID 66847317Tert-butyl 2-(1-phenylpyrazol-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Sources & evidence

ORD record
ord-364942dd8f134111ac050b9ff0763302
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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