HRID121387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID6356

Boron trifluoride

BF3

HCID8003

Pentane

C5H12

HCID8071

未命名化合物

HCID10906

tert-Butyl nitrite

C4H9NO2

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ccc(N)c(OCc4ccccc4)n3)c(Cl)cc2F)c1=O

HCID18619197

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3cccc(OCc4ccccc4)n3)c(Cl)cc2F)c1=O

HCID18619225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c0df150ba304f06a73aa5cf279c095e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B:6]([F:7])([F:8])[F:9].[CH2:1]([O:2][CH2:3][CH3:4])[CH3:5].[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[CH3:60][CH2:61][CH2:62][CH2:63][CH3:64].[Cl:65][CH2:66][Cl:67].[N:53]([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59].[NH2:10][c:11]1[c:12]([O:39][CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[n:13][c:14]([O:17][c:18]2[c:19]([Cl:38])[cH:20][c:21]([F:37])[c:22](-[n:24]3[c:25](=[O:36])[n:26]([CH3:35])[c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][c:29]3=[O:30])[cH:23]2)[cH:15][cH:16]1>>[cH:11]1[c:12]([O:39][CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[n:13][c:14]([O:17][c:18]2[c:19]([Cl:38])[cH:20][c:21]([F:37])[c:22](-[n:24]3[c:25](=[O:36])[n:26]([CH3:35])[c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][c:29]3=[O:30])[cH:23]2)[cH:15][cH:16]1