Water → Methyl 3-{[(4-{3-[1-(tert-butoxycarbonyl)-4-piperidinyl]anilino}-4-oxobutyl)amino]carbonyl}-4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

HRID 812395Notes

Reaction equation

HRID 812395 reaction equation
[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[N:36]1[CH2:37][CH2:38][CH:39]([c:42]2[cH:43][c:44]([NH2:48])[cH:45][cH:46][cH:47]2)[CH2:40][CH2:41]1.[CH3:53][N:54]([CH3:55])[c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1.[Cl:49][CH2:50][Cl:51].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([C:25](=[O:26])[O:27][CH3:28])=[C:10]([CH3:24])[NH:11][C:12](=[O:23])[N:13]2[C:14](=[O:15])[NH:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22])[cH:6][cH:7]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:52]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([C:25](=[O:26])[O:27][CH3:28])=[C:10]([CH3:24])[NH:11][C:12](=[O:23])[N:13]2[C:14](=[O:15])[NH:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[NH:48][c:44]2[cH:43][c:42]([CH:39]3[CH2:38][CH2:37][N:36]([C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[CH2:41][CH2:40]3)[cH:47][cH:46][cH:45]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 22049268tert-Butyl 4-(3-aminophenyl)piperidine-1-carboxylateHCID 575269344-{[(6-(4-Fluorophenyl)-5-(methoxycarbonyl)-4-methyl-2-oxo-3,6-dihydro-1(2H)-pyrimidinyl)carbonyl]amino}butanoic acid

Product 1

HCID 57526947Methyl 3-{[(4-{3-[1-(tert-butoxycarbonyl)-4-piperidinyl]anilino}-4-oxobutyl)amino]carbonyl}-4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Sources & evidence

ORD record
ord-89158b4040c942d6a2091c662937b6f2
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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