HRID111410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID4033

Nitrogen mustard

C5H11Cl2N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：Cc1cc(CN)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

HCID57949320

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CN2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

HCID57949406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-915ba26010c040cf943c6d5dc3e51bc2
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

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