HRID172567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID11423651

未命名化合物

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

PRODUCTS

生成物

结构：Cc1cc(F)ccc1-c1cc(N2CCN3CCNCC3C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID59215771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-585af10fb4554d99a7cdab55cc8ff45d
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

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