Acetate → 4-[2-[(3-fluorophenyl)amino]-4-pyridinyl]-N-[1-methyl-2-(methylthio)ethyl]-2-pyrimidinamine

HRID 663433Notes

Reaction equation

HRID 663433 reaction equation
[C:74](=[O:75])([O-:76])[O-:77].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([NH:14][CH:15]([CH2:16][S:17][CH3:18])[CH3:19])[n:11][cH:12][cH:13]2)[cH:7]1.[Cs+:78].[Cs+:79].[NH2:20][c:21]1[cH:22][cH:23][cH:24][c:25]([F:26])[cH:27]1.[O-:88][C:89]([CH3:90])=[O:91].[O-:92][C:93]([CH3:94])=[O:95].[Pd+2:87].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[c:45]2-[c:46]2[c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[cH:53][cH:54][c:55]2[P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[c:2]1([NH:20][c:21]2[cH:22][cH:23][cH:24][c:25]([F:26])[cH:27]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([NH:14][CH:15]([CH2:16][S:17][CH3:18])[CH3:19])[n:11][cH:12][cH:13]2)[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 97423-FluoroanilineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 866467764-(2-chloro-4-pyridinyl)-N-[1-methyl-2-(methylthio)ethyl]-2-pyrimidinamine

Product 1

HCID 673888194-[2-[(3-fluorophenyl)amino]-4-pyridinyl]-N-[1-methyl-2-(methylthio)ethyl]-2-pyrimidinamine

Sources & evidence

ORD record
ord-2fb5273eb3aa4ced9bd68796a7845620
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…