Potassium Cation → N-[6-amino-1-cyclobutylmethyl-3-(2-fluoro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-2-[5-(5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonylamino)-pyridin-2-yl]-acetamide

HRID 1564000Notes

Reaction equation

HRID 1564000 reaction equation
[Br:46][CH2:47][CH:48]1[CH2:49][CH2:50][CH2:51]1.[C:40](=[O:41])([O-:42])[O-:43].[K+:44].[K+:45].[NH2:1][c:2]1[c:3]([NH:18][C:19]([CH2:20][c:21]2[n:22][cH:23][c:24]([NH:27][S:28](=[O:29])(=[O:30])[c:31]3[c:32]([CH3:38])[n:33][n:34]([CH3:37])[c:35]3[Cl:36])[cH:25][cH:26]2)=[O:39])[c:4](=[O:17])[n:5]([CH2:9][c:10]2[c:11]([F:16])[cH:12][cH:13][cH:14][cH:15]2)[c:6](=[O:8])[nH:7]1>>[NH2:1][c:2]1[c:3]([NH:18][C:19]([CH2:20][c:21]2[n:22][cH:23][c:24]([NH:27][S:28](=[O:29])(=[O:30])[c:31]3[c:32]([CH3:38])[n:33][n:34]([CH3:37])[c:35]3[Cl:36])[cH:25][cH:26]2)=[O:39])[c:4](=[O:17])[n:5]([CH2:9][c:10]2[c:11]([F:16])[cH:12][cH:13][cH:14][cH:15]2)[c:6](=[O:8])[n:7]1[CH2:47][CH:48]1[CH2:49][CH2:50][CH2:51]1

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 2734658(Bromomethyl)cyclobutaneHCID 58762839HCID 58762839, compound

Product 1

HCID 69115794N-[6-amino-1-cyclobutylmethyl-3-(2-fluoro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-2-[5-(5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonylamino)-pyridin-2-yl]-acetamide

Sources & evidence

ORD record
ord-6582acc702e94a7f88d00f09df6f4f7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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