Dimethylformamide → Sgx-523

HRID 305552Notes

Reaction equation

HRID 305552 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1.[CH3:21][n:22]1[n:23][cH:24][c:25](-[c:27]2[cH:28][cH:29][c:30]3[n:31]([n:32]2)[c:33]([SH:36])[n:34][n:35]3)[cH:26]1.[CH:12]([N:13]([CH:14]([CH3:15])[CH3:16])[CH2:17][CH3:18])([CH3:19])[CH3:20].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Pd:42].[Pd:43]>>[c:2]1([S:36][c:33]2[n:31]3[c:30]([cH:29][cH:28][c:27](-[c:25]4[cH:24][n:23][n:22]([CH3:21])[cH:26]4)[n:32]3)[n:35][n:34]2)[cH:3][c:4]2[cH:5][cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 23938Palladium2×HCID 792436-BromoquinolineHCID 81531DiisopropylethylamineHCID 95417Dibenzylidene acetone3×HCID 178480034HCID 178480034, compound

Product 1

HCID 24779724Sgx-523

Sources & evidence

ORD record
ord-13afd7911ab04dd19589099a76913c74
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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