Ammonia → N-[1-(3,4-dimethoxyphenyl)-3-hydroxypropan-2-yl]-2-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)pyridine-4-carboxamide

HRID 1122627Notes

Reaction equation

HRID 1122627 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]([CH2:9][OH:10])[CH2:11][c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:22][cH:23][n:24]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cu:54][I:55].[K+:29].[K+:30].[NH3:48].[n:31]1[cH:32][c:33](-[c:37]2[n:38][nH:39][c:40](=[O:47])[c:41]3[cH:42][cH:43][cH:44][cH:45][c:46]23)[cH:34][cH:35][cH:36]1>>[c:2]1(-[n:39]2[n:38][c:37](-[c:33]3[cH:32][n:31][cH:36][cH:35][cH:34]3)[c:46]3[c:41]([c:40]2=[O:47])[cH:42][cH:43][cH:44][cH:45]3)[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]([CH2:9][OH:10])[CH2:11][c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:22][cH:23][n:24]1

Participants

8

Reactant 7

HCID 222AmmoniaHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 100138394-(3-pyridyl)phthalazin-1(2H)-oneHCID 218408112-(2-Bromoisonicotinoylamino)-3-(3,4-dimethoxyphenyl)-1-propanol

Product 1

HCID 21840841N-[1-(3,4-dimethoxyphenyl)-3-hydroxypropan-2-yl]-2-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)pyridine-4-carboxamide

Sources & evidence

ORD record
ord-1f70e7167eaa427aa4e03da08da3f31f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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