HRID109569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID123238

1-Azabicyclo[2.2.2]octan-3-amine

C7H14N2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID22350700

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(=O)NC2CN3CCC2CC3)ccc1-c1ccccc1

HCID18182041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbb8d9948d8645798b8cbed7cca5e4cf
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

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