HRID100515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID787

Hydroxylamine

H3NO

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID5975

Cyanide

CN-

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1cc(COCCCCC(Oc2ccc(F)c(C)c2)C(=O)N2C(=O)OCC2C(C)C)ccc1F

HCID66968430

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(COCCCCC(Oc2ccc(F)c(C)c2)C(=O)NO)ccc1F

HCID74381421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b73b578039674be496d8d0ca785ee9a5
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

[C-:40]#[N:41].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:36][OH:37].[F:1][c:2]1[c:3]([CH3:35])[cH:4][c:5]([CH2:6][O:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]([C:13](=[O:14])[N:15]2[CH:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][O:21][C:22]2=[O:23])[O:24][c:25]2[cH:26][c:27]([CH3:32])[c:28]([F:31])[cH:29][cH:30]2)[cH:33][cH:34]1.[K+:42].[NH2:38][OH:39].[OH2:48]>>[F:1][c:2]1[c:3]([CH3:35])[cH:4][c:5]([CH2:6][O:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]([C:13](=[O:14])[NH:15][OH:37])[O:24][c:25]2[cH:26][c:27]([CH3:32])[c:28]([F:31])[cH:29][cH:30]2)[cH:33][cH:34]1