HRID663826

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

HCID46735167

[6-(Morpholin-4-yl)pyridin-3-yl]boronic acid

C9H13BN2O3

结构：O=C(c1ccc2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1)N1CCN(C2CCC2)CC1

HCID68683577

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(N2CCOCC2)nc1)N1CCN(C2CCC2)CC1

HCID68682628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9273163208ce451cbff45642b6f2b28d
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:56]([O-:57])(=[O:58])[CH3:59].[C:61]([O-:62])(=[O:63])[CH3:64].[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]3[cH:14][c:15]4[cH:16][c:17]([C:22](=[O:23])[N:24]5[CH2:25][CH2:26][C:27]([F:30])([F:31])[CH2:28][CH2:29]5)[nH:18][c:19]4[cH:20][cH:21]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1.[Cl:53][CH2:54][Cl:55].[Cu+2:60].[O:32]1[CH2:33][CH2:34][N:35]([c:38]2[n:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]2)[CH2:36][CH2:37]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]3[cH:14][c:15]4[cH:16][c:17]([C:22](=[O:23])[N:24]5[CH2:25][CH2:26][C:27]([F:30])([F:31])[CH2:28][CH2:29]5)[n:18](-[c:41]5[cH:40][n:39][c:38]([N:35]6[CH2:34][CH2:33][O:32][CH2:37][CH2:36]6)[cH:43][cH:42]5)[c:19]4[cH:20][cH:21]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1