HRID692467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID80366

2,2,2-Trifluoroethyl triflate

C3H2F6O3S

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CNC3)ccc1-2

HCID58204076

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(CC(F)(F)F)C3)ccc1-2

HCID58204280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a77a715b4b674ec6b7fff0b2afa108c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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