HRID157388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID27099

Copper(2+)

Cu+2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：O=C(c1ccc2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1)N1CCN(C2CCCC2)CC1

HCID68681312

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2-c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCC2)CC1

HCID68680770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01196995ce464e72861a385e314c3821
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:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH:1]1([N:6]2[CH2:7][CH2:8][N:9]([C:12](=[O:13])[c:14]3[cH:15][c:16]4[cH:17][c:18]([C:23](=[O:24])[N:25]5[CH2:26][CH2:27][C:28]([F:31])([F:32])[CH2:29][CH2:30]5)[nH:19][c:20]4[cH:21][cH:22]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:52][CH2:53][Cl:54].[Cu+2:59].[F:33][C:34]([c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1)([F:44])[F:45].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH:1]1([N:6]2[CH2:7][CH2:8][N:9]([C:12](=[O:13])[c:14]3[cH:15][c:16]4[cH:17][c:18]([C:23](=[O:24])[N:25]5[CH2:26][CH2:27][C:28]([F:31])([F:32])[CH2:29][CH2:30]5)[n:19](-[c:38]5[cH:37][cH:36][c:35]([C:34]([F:33])([F:44])[F:45])[cH:40][cH:39]5)[c:20]4[cH:21][cH:22]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1