Potassium Cation → HCID 67385929, compound

HRID 214651Notes

Reaction equation

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

Participants

Reactant 8

HCID 813Potassium Cation3×

HCID 962Water

HCID 1061Phosphate

HCID 6228Dimethylformamide

HCID 23938Palladium2×

HCID 791961-Ethylpiperazine

HCID 95417Dibenzylidene acetone3×

HCID 59244836HCID 59244836, compound

Product 1

HCID 67385929HCID 67385929, compound

Sources & evidence

ORD record: ord-3d95dfd72cb549faad7ffcb0043bcdfa
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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