Sodium ion → 6-(6-Chloro-pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid [5-tert-butyl-2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-amide

HRID 679989Notes

Reaction equation

HRID 679989 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH2:18])[n:8](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:9]1.[C:46](=[O:47])([O-:48])[O-:49].[Cl:19][c:20]1[cH:21][c:22]([O:26][c:27]2[cH:28][c:29]3[cH:30][cH:31][cH:32][c:33]([C:37](=[O:38])[Cl:39])[c:34]3[cH:35][cH:36]2)[n:23][cH:24][n:25]1.[Cl:52][CH2:53][Cl:54].[Na+:50].[Na+:51].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:18][C:37]([c:33]2[cH:32][cH:31][cH:30][c:29]3[cH:28][c:27]([O:26][c:22]4[cH:21][c:20]([Cl:19])[n:25][cH:24][n:23]4)[cH:36][cH:35][c:34]32)=[O:38])[n:8](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:9]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 1049PyridineHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 111393953-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-amineHCID 574551736-(6-Chloropyrimidin-4-yloxy)naphthalene-1-carbonyl chloride

Product 1

HCID 867615276-(6-Chloro-pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid [5-tert-butyl-2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-amide

Sources & evidence

ORD record
ord-f1de9ba6a995415ba955525f363054fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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