Dimethylformamide → HCID 178460042, compound

HRID 1536751Notes

Reaction equation

HRID 1536751 reaction equation
[CH3:113][CH2:114][N:115]([CH2:116][CH3:117])[CH2:118][CH3:119].[CH3:38][O:39][C:40](=[O:41])[CH:42]1[CH2:43][CH2:44][CH:45]([CH2:48][C:49]#[CH:50])[CH2:46][CH2:47]1.[Cl:1][c:2]1[n:3][c:4]([NH:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([OH:22])[CH:13]([OH:21])[CH:14]([NH:16][C:17]([CH2:18][CH3:19])=[O:20])[CH2:15]3)[c:9]2[n:10]1.[Cu:70][I:71].[O:120]=[CH:121][N:122]([CH3:123])[CH3:124].[Pd:72]([Cl:73])[Cl:74].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1.[c:94]1([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109][cH:110][cH:111][cH:112]1>>[c:2]1([C:50]#[C:49][CH2:48][CH:45]2[CH2:44][CH2:43][CH:42]([C:40]([O:39][CH3:38])=[O:41])[CH2:47][CH2:46]2)[n:3][c:4]([NH:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([OH:22])[CH:13]([OH:21])[CH:14]([NH:16][C:17]([CH2:18][CH3:19])=[O:20])[CH2:15]3)[c:9]2[n:10]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 11776Triphenylphosphine3×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 10749876Methyl 4-prop-2-ynylcyclohexanecarboxylateHCID 87240175N-[4-[2-chloro-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide

Product 1

HCID 178460042HCID 178460042, compound

Sources & evidence

ORD record
ord-91e384f770d14ed5bc49321296ab8157
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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