HRID1114462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID11357589

BENZOFURAN-6-YL TRIFLUOROMETHANESULFONATE

C9H5F3O4S

结构：CC1(C)OB(c2ccc(-n3c(CC4CCN(C(=O)C5CC5)C4)n[nH]c3=O)cc2)OC1(C)C

HCID178431076

未命名化合物

PRODUCTS

生成物

结构：O=C(C1CC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4ccoc4c3)cc2)C1

HCID77444112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20bf08319efe45668c8e86a4fb4e66f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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