HRID294711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID104748

Sulfurous acid, ion(1-)

HO3S-

结构：COc1ncccc1N1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O

HCID56655687

未命名化合物

PRODUCTS

生成物

结构：O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(c1cccnc1O)CC2

HCID178517299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-773c094781a24c09a5003101fc9bc77e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[N:9]1[CH2:10][CH2:11][C:12]2([CH2:13][CH2:14][N:15]([c:18]3[cH:19][cH:20][c:21]([O:24][C:25]([F:26])([F:27])[F:28])[cH:22][cH:23]3)[C:16]2=[O:17])[CH2:29][CH2:30]1.[CH3:33][Si:34]([Cl:35])([CH3:36])[CH3:37].[CH3:44][C:45]#[N:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[ClH:38].[I-:31].[Na+:32].[Na+:43].[S:39](=[O:40])([OH:41])[O-:42]>>[OH:2][c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[N:9]1[CH2:10][CH2:11][C:12]2([CH2:13][CH2:14][N:15]([c:18]3[cH:19][cH:20][c:21]([O:24][C:25]([F:26])([F:27])[F:28])[cH:22][cH:23]3)[C:16]2=[O:17])[CH2:29][CH2:30]1