Carbonate Ion → GDC-0834 Racemate

HRID 2340929Notes

Reaction equation

HRID 2340929 reaction equation
[Br:17][c:18]1[c:19](=[O:44])[n:20]([CH3:43])[cH:21][c:22](-[c:24]2[c:25]([CH3:42])[c:26]([NH:30][C:31](=[O:32])[c:33]3[cH:34][c:35]4[c:36]([s:37]3)[CH2:38][CH2:39][CH2:40][CH2:41]4)[cH:27][cH:28][cH:29]2)[n:23]1.[C:45](=[O:46])([O-:47])[O-:48].[CH2:107]1[O:108][CH2:109][CH2:110][O:111][CH2:112]1.[Cs+:49].[Cs+:50].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9](=[O:16])[N:10]([CH3:15])[CH2:11][CH2:12][N:13]2[CH3:14])[cH:6][cH:7]1.[O:53]=[C:54]([CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Pd:51].[Pd:52]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9](=[O:16])[N:10]([CH3:15])[CH2:11][CH2:12][N:13]2[CH3:14])[cH:6][cH:7]1)[c:18]1[c:19](=[O:44])[n:20]([CH3:43])[cH:21][c:22](-[c:24]2[c:25]([CH3:42])[c:26]([NH:30][C:31](=[O:32])[c:33]3[cH:34][c:35]4[c:36]([s:37]3)[CH2:38][CH2:39][CH2:40][CH2:41]4)[cH:27][cH:28][cH:29]2)[n:23]1

Participants

8

Reactant 7

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 576251203-(4-Aminophenyl)-1,4-dimethylpiperazin-2-oneHCID 57625151N-(3-(6-Bromo-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide

Product 1

HCID 25235170GDC-0834 Racemate

Sources & evidence

ORD record
ord-3e842b21bedc42b09daac026d395e10c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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