Dimethylformamide → 1-[3-[2-[6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]-3-[3-(2-phenylethynyl)phenyl]urea
Reaction equation
[CH3:1][C:2]1([CH3:46])[O:3][CH2:4][c:5]2[c:6]([cH:8][cH:9][c:10]([CH:12]3[CH2:13][N:14]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][O:27][CH2:28][c:29]4[cH:30][c:31]([NH:35][C:36](=[O:37])[NH:38][c:39]5[cH:40][c:41]([I:45])[cH:42][cH:43][cH:44]5)[cH:32][cH:33][cH:34]4)[C:15](=[O:17])[O:16]3)[cH:11]2)[O:7]1.[CH:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH2:60][CH3:61])([CH3:62])[CH3:63].[Cu:69][I:70].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[Pd:71]([Cl:72])[Cl:73].[c:47]1([C:53]#[CH:54])[cH:48][cH:49][cH:50][cH:51][cH:52]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[CH3:1][C:2]1([CH3:46])[O:3][CH2:4][c:5]2[c:6]([cH:8][cH:9][c:10]([CH:12]3[CH2:13][N:14]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][O:27][CH2:28][c:29]4[cH:30][c:31]([NH:35][C:36](=[O:37])[NH:38][c:39]5[cH:40][c:41]([C:54]#[C:53][c:47]6[cH:48][cH:49][cH:50][cH:51][cH:52]6)[cH:42][cH:43][cH:44]5)[cH:32][cH:33][cH:34]4)[C:15](=[O:17])[O:16]3)[cH:11]2)[O:7]1Participants
8
Reactant 7
HCID 6228Dimethylformamide
HCID 10821Phenylacetylene
HCID 11776Triphenylphosphine2×
HCID 24290Palladium Chloride
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 81531Diisopropylethylamine
HCID 771956011-[3-[2-[6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]-3-(3-iodophenyl)ureaProduct 1
Sources & evidence
- ORD record
- ord-4b86c84025b14207bb037ad04645e076
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…