HRID1208448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID787

Hydroxylamine

H3NO

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)C(C)(C)C(O)c1ccc(OCc2cc(C)nc3ccccc23)cc1

HCID69596429

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

结构：Cc1cc(COc2ccc(C(O)C(C)(C)C(=O)NO)cc2)c2ccccc2n1

HCID9842849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-185c849ae1f4418bb3f6dbe7b6f99fac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([O:2][C:4]([C:5]([CH:6]([c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][c:15]2[cH:16][c:17]([CH3:25])[n:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[cH:11][cH:12]1)[OH:26])([CH3:27])[CH3:28])=[O:29])[CH3:3].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:34][OH:35].[F:36][C:37]([C:38](=[O:39])[OH:40])([F:41])[F:42].[K+:31].[NH2:32][OH:33].[OH-:30]>>[C:4]([C:5]([CH:6]([c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][c:15]2[cH:16][c:17]([CH3:25])[n:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[cH:11][cH:12]1)[OH:26])([CH3:27])[CH3:28])(=[O:29])[NH:32][OH:30].[F:36][C:37]([C:38](=[O:39])[OH:40])([F:41])[F:42]