HRID142620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID27099

Copper(2+)

Cu+2

HCID2733958

2-Methoxyphenylboronic acid

C7H9BO3

结构：CCOC(=O)Cn1c(=O)c2[nH]c(N3CCN(C(=O)OC(C)(C)C)CC3)nc2n(C)c1=O

HCID23536965

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cn1c(=O)c2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2-c2ccccc2OC)n(C)c1=O

HCID23536963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94580ee0cd8a4aba92ee462a73a0ab7e
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[n:17]([CH3:31])[c:18](=[O:30])[n:19]([CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[c:20](=[O:23])[c:21]3[nH:22]2)[CH2:12][CH2:13]1.[C:54]([O-:55])(=[O:56])[CH3:57].[C:59]([O-:60])(=[O:61])[CH3:62].[CH3:32][O:33][c:34]1[c:35]([B:40]([OH:41])[OH:42])[cH:36][cH:37][cH:38][cH:39]1.[Cu+2:58].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[n:17]([CH3:31])[c:18](=[O:30])[n:19]([CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[c:20](=[O:23])[c:21]3[n:22]2-[c:35]2[c:34]([O:33][CH3:32])[cH:39][cH:38][cH:37][cH:36]2)[CH2:12][CH2:13]1