HRID685884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID23502784

未命名化合物

HCID45122045

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)ccc1-c1cc(N2CCN3CCCC3(CO)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID16064038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44ad4d6e28d247d38ea356faf520e1f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:48](=[O:49])([O-:50])[O-:51].[CH2:1]1[C:2]2([CH2:10][OH:11])[N:3]([CH2:4][CH2:5][NH:6]1)[CH2:7][CH2:8][CH2:9]2.[CH3:54][S:55]([CH3:56])=[O:57].[F:12][C:13]([c:14]1[cH:15][c:16]([C:24]([C:25](=[O:26])[N:27]([CH3:28])[c:29]2[cH:30][n:31][c:32]([Cl:43])[cH:33][c:34]2-[c:35]2[c:36]([CH3:42])[cH:37][c:38]([F:41])[cH:39][cH:40]2)([CH3:44])[CH3:45])[cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]1)([F:46])[F:47].[K+:52].[K+:53].[OH2:58]>>[CH2:1]1[C:2]2([CH2:10][OH:11])[N:3]([CH2:4][CH2:5][N:6]1[c:32]1[n:31][cH:30][c:29]([N:27]([C:25]([C:24]([c:16]3[cH:15][c:14]([C:13]([F:12])([F:46])[F:47])[cH:19][c:18]([C:20]([F:21])([F:22])[F:23])[cH:17]3)([CH3:44])[CH3:45])=[O:26])[CH3:28])[c:34](-[c:35]3[c:36]([CH3:42])[cH:37][c:38]([F:41])[cH:39][cH:40]3)[cH:33]1)[CH2:7][CH2:8][CH2:9]2