HRID108637

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

HCID78037

Cyclopropane, bromo-

C3H5Br

HCID5462224

Magnesium

结构：COc1ccc(-n2nc(C(=O)N(C)OC)cc2-c2ccc(CCNC(N)=O)cc2)cc1

HCID86592862

未命名化合物

HCID178507030

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2nc(C(=O)C3CC3)cc2-c2ccc(CCNC(N)=O)cc2)cc1

HCID21091074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92e2d6c9944e4d52832257f60d100dcc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:1].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH:2]1([Mg+:5])[CH2:3][CH2:4]1.[CH:6]1([Br:7])[CH2:8][CH2:9]1.[Mg:10].[NH2:11][C:12](=[O:13])[NH:14][CH2:15][CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[cH:24][c:25]([C:36](=[O:37])[N:38]([O:39][CH3:40])[CH3:41])[n:26][n:27]2-[c:28]2[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]2)[cH:21][cH:22]1>>[CH:2]1([C:36]([c:25]2[cH:24][c:23](-[c:20]3[cH:19][cH:18][c:17]([CH2:16][CH2:15][NH:14][C:12]([NH2:11])=[O:13])[cH:22][cH:21]3)[n:27](-[c:28]3[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]3)[n:26]2)=[O:37])[CH2:3][CH2:4]1