HRID198613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate Ion

CO3-2

HCID30165

Iodide ion

I-

HCID522674

2-Thiophenethiol

C4H4S2

HCID22468780

未命名化合物

PRODUCTS

产物

HCID22468562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f168dcd2d69f4292acabad5de7993d69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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