Acetonitrile → 2-Methylthio-4-benzylamino-5-nitro-6-(2-benzyloxy-5-cyanophenoxy)pyrimidine

HRID 307804

Reaction equation

HRID 307804 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:11][c:12]2[c:13]([N+:21](=[O:22])[O-:23])[c:14]([Cl:20])[n:15][c:16]([S:18][CH3:19])[n:17]2)[cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]1.[CH3:44][C:45]#[N:46].[Cs+:34].[Cs+:35].[NH2:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:11][c:12]2[c:13]([N+:21](=[O:22])[O-:23])[c:14]([NH:36][CH2:37][c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[n:15][c:16]([S:18][CH3:19])[n:17]2)[cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 7504BenzylamineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 221029862-Methylthio-4-chloro-5-nitro-6-(2-benzyloxy-5-cyanophenoxy)pyrimidine

Product 1

HCID 189168492-Methylthio-4-benzylamino-5-nitro-6-(2-benzyloxy-5-cyanophenoxy)pyrimidine

Sources & evidence

ORD record
ord-e325203572a84869939b152459576612
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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