Potassium Cation → 5-[4,5-Dimethoxy-2-(1-methyl-2-phenyl-ethyl)-benzyl]-pyrimidine-2,4-diamine

HRID 1134603Notes

Reaction equation

HRID 1134603 reaction equation
[Al+3:31].[CH2:43]([SiH:44]([CH2:45][CH3:46])[CH2:47][CH3:48])[CH3:49].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[Cl:61][CH2:62][Cl:63].[H-:30].[H-:33].[H-:34].[H-:35].[K+:50].[K+:51].[Li+:32].[NH2:1][c:2]1[n:3][cH:4][c:5]([C:9](=[O:10])[c:11]2[c:12]([CH:21]([CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH3:29])[cH:13][c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]2)[c:6]([NH2:8])[n:7]1.[O-:52][C:53]([O-:54])=[O:55].[OH:36][C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[NH2:1][c:2]1[n:3][cH:4][c:5]([CH2:9][c:11]2[c:12]([CH:21]([CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH3:29])[cH:13][c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]2)[c:6]([NH2:8])[n:7]1

Participants

11

Reactant 10

HCID 813Potassium Cation2×HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 12052TriethylsilaneHCID 19660Carbonate IonHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 59598674(2,4-Diamino-pyrimidin-5-yl)-[4,5-dimethoxy-2-(1-methyl-2-phenyl-ethyl)-phenyl]-methanone

Product 1

HCID 161191675-[4,5-Dimethoxy-2-(1-methyl-2-phenyl-ethyl)-benzyl]-pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-5766b9859f6643aeb7577177874a1688
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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