HRID1205456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID676391

未命名化合物

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

结构：CC(C)(C)OC(=O)N1CCN(c2cccc3c2cc(C(N)=O)n3Cc2ccc(F)cc2)CC1

HCID59344902

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc3c2c(F)c(C(N)=O)n3Cc2ccc(F)cc2)CC1

HCID59344918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4819eb0c6a1f43db93894c0a146c88a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]3[cH:16][c:17]([C:31]([NH2:32])=[O:33])[n:18]([CH2:23][c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[c:19]3[cH:20][cH:21][cH:22]2)[CH2:12][CH2:13]1.[Cl:52][CH2:53][Cl:54].[F:42][n+:43]1[c:44]([CH3:45])[cH:46][c:47]([CH3:48])[cH:49][c:50]1[CH3:51].[S:34]([O-:35])([C:36]([F:37])([F:38])[F:39])(=[O:40])=[O:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]3[c:16]([F:38])[c:17]([C:31]([NH2:32])=[O:33])[n:18]([CH2:23][c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[c:19]3[cH:20][cH:21][cH:22]2)[CH2:12][CH2:13]1