HRID1235241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(C)N1CCC(Oc2cnc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1

HCID16727356

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2cnc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1

HCID16727359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6eb81ea042d541c3997b32af8b1b665e
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

[B-:30]([F:31])([F:32])([F:33])[F:34].[CH2:52]1[NH:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14][cH:15][c:16]([O:18][CH:19]4[CH2:20][CH2:21][N:22]([CH:25]([CH3:26])[CH3:27])[CH2:23][CH2:24]4)[cH:17]3)[nH:28]2)[CH2:6][CH2:7]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[n:35]1([O:44][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[CH2:3]1[CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14][cH:15][c:16]([O:18][CH:19]4[CH2:20][CH2:21][N:22]([CH:25]([CH3:26])[CH3:27])[CH2:23][CH2:24]4)[cH:17]3)[nH:28]2)[CH2:6][CH2:7][O:44]1