Water → 6-Amino-2-(4-chloro-2,3-difluorophenyl)-5-vinyl-pyrimidine-4-carboxylic acid methyl ester

HRID 2134528Notes

Reaction equation

HRID 2134528 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([Cl:14])[n:8][c:9]([NH2:13])[c:10]1[CH:11]=[CH2:12].[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:15][c:16]1[c:17]([F:32])[c:18]([F:31])[c:19]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:20][cH:21]1.[Cs+:34].[F-:33].[OH2:41].[Pd:48]([Cl:49])[Cl:50].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7](-[c:19]2[c:18]([F:31])[c:17]([F:32])[c:16]([Cl:15])[cH:21][cH:20]2)[n:8][c:9]([NH2:13])[c:10]1[CH:11]=[CH2:12]

Participants

10

Reactant 9

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 28179Fluoride IonHCID 104967Cesium cationHCID 569732562-(4-Chloro-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 594320726-Amino-2-chloro-5-vinylpyrimidine-4-carboxylic acid methyl ester

Product 1

HCID 594321246-Amino-2-(4-chloro-2,3-difluorophenyl)-5-vinyl-pyrimidine-4-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-0724451c67644828af825e79a0165b97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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