Dimethylformamide → 1-(3,5-Dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenylethynyl-phthalazine

HRID 1566300Notes

Reaction equation

HRID 1566300 reaction equation
[CH2:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[Cl:1][c:2]1[n:3][n:4][c:5]([CH2:14][c:15]2[c:16]([Cl:22])[cH:17][n:18][cH:19][c:20]2[Cl:21])[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12.[Cu:64][I:65].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[Pd:61]([Cl:62])[Cl:63].[c:29]1([C:35]#[CH:36])[cH:30][cH:31][cH:32][cH:33][cH:34]1.[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[c:2]1([C:36]#[C:35][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[n:3][n:4][c:5]([CH2:14][c:15]2[c:16]([Cl:22])[cH:17][n:18][cH:19][c:20]2[Cl:21])[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8082PiperidineHCID 10821PhenylacetyleneHCID 11776TriphenylphosphineHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 186292104-Chloro-1-[(3,5-dichloropyridin-4-yl)methyl]-6-methoxyphthalazine

Product 1

HCID 99538911-(3,5-Dichloro-pyridin-4-ylmethyl)-6-methoxy-4-phenylethynyl-phthalazine

Sources & evidence

ORD record
ord-ac956818773045988a56c9b9c8dcba62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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