HRID169266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID28557

18-Crown-6

C12H24O6

HCID4574913

未命名化合物

结构：O=C(c1cccc2cc[nH]c12)N1CC(CN2CCC(c3ccc(F)cc3)CC2)C(C2CC2)C1

HCID9846369

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc2cccc(C(=O)N3CC(CN4CCC(c5ccc(F)cc5)CC4)C(C4CC4)C3)c21

HCID9847041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d79d483f14284924a67ac4fb16ac0b83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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