Potassium Cation → 2-(4-methoxyphenyl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide

HRID 1546998Notes

Reaction equation

HRID 1546998 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[OH:12])[cH:7][cH:8]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[K+:60].[K+:61].[O-:62][C:63]([O-:64])=[O:65].[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1.[nH:44]1[n:45][cH:46][c:47](-[c:49]2[cH:50][c:51]3[cH:52][c:53]([NH2:59])[n:54][cH:55][c:56]3[cH:57][cH:58]2)[cH:48]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:12])[NH:59][c:53]2[cH:52][c:51]3[cH:50][c:49](-[c:47]4[cH:46][n:45][nH:44][cH:48]4)[cH:58][cH:57][c:56]3[cH:55][n:54]2)[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 76904-Methoxyphenylacetic AcidHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 19660Carbonate IonHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 580822936-(1H-Pyrazol-4-yl)-isoquinolin-3-ylamine

Product 1

HCID 580826052-(4-methoxyphenyl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide

Sources & evidence

ORD record
ord-3c7cb2a0aa204d36a7f696d85a6cc8f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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