Toluene → 2-Amino-6-(5-methylfuran-2-yl)-5-nitropyrimidin-4-yl 4-methylbenzenesulfonate

HRID 317735Notes

Reaction equation

HRID 317735 reaction equation
[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][C:44]#[N:45].[Cl:46][CH2:47][Cl:48].[NH2:1][c:2]1[n:3][c:4](-[c:12]2[o:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:5]([N+:9](=[O:10])[O-:11])[c:6]([OH:8])[n:7]1.[c:25]1([CH3:35])[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[Cl:34])[cH:29][cH:30]1>>[NH2:1][c:2]1[n:3][c:4](-[c:12]2[o:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:5]([N+:9](=[O:10])[O-:11])[c:6]([O:8][S:31]([c:28]2[cH:27][cH:26][c:25]([CH3:35])[cH:30][cH:29]2)(=[O:32])=[O:33])[n:7]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 73974-Toluenesulfonyl chlorideHCID 8471TriethylamineHCID 178423996HCID 178423996, compound

Product 1

HCID 866553142-Amino-6-(5-methylfuran-2-yl)-5-nitropyrimidin-4-yl 4-methylbenzenesulfonate

Sources & evidence

ORD record
ord-e6759f01aff343f58ba58e15761ab413
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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