HRID2130586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID30165

Iodide ion

I-

HCID2723694

4'-Tert-butyl-4-chlorobutyrophenone

C14H19ClO

结构：O=C(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCNCC1

HCID15542883

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C(=O)CCCN2CCC(C(=O)c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1

HCID19800499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-191d00b6619c4b4d831bfe8c2ee07afb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:42](=[O:43])([OH:44])[O-:45].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]([C:38]([CH3:39])([CH3:40])[CH3:41])[cH:36][cH:37]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([C:18](=[O:19])[CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[n:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:6][cH:7]1.[I-:48].[K+:46].[K+:47].[OH2:56]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([C:18](=[O:19])[CH:20]3[CH2:21][CH2:22][N:23]([CH2:27][CH2:28][CH2:29][C:30](=[O:31])[c:32]4[cH:33][cH:34][c:35]([C:38]([CH3:39])([CH3:40])[CH3:41])[cH:36][cH:37]4)[CH2:24][CH2:25]3)[n:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:6][cH:7]1