Acetone → HCID 69333137, compound

HRID 209310Notes

Reaction equation

HRID 209310 reaction equation
[C:30](#[CH:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:44][C:45](=[O:46])[CH3:47].[Cu:48][I:49].[NH2:8][c:9]1[n:10][c:11](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:12](-[c:16]2[cH:17][cH:18][c:19](=[O:23])[n:20]([CH3:22])[n:21]2)[n:13][c:14]1[Br:15].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:38].[Pd:50]([Cl:51])[Cl:52].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[NH2:8][c:9]1[n:10][c:11](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:12](-[c:16]2[cH:17][cH:18][c:19](=[O:23])[n:20]([CH3:22])[n:21]2)[n:13][c:14]1[C:31]#[C:30][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1

Participants

10

Reactant 9

HCID 180AcetoneHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 10821PhenylacetyleneHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 86074880HCID 86074880, compound

Product 1

HCID 69333137HCID 69333137, compound

Sources & evidence

ORD record
ord-849e8672053e4d259eebbda8bb1f9788
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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