HRID2338874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID9322

Thiocyanate

CNS-

HCID24247

Perchloric acid

HClO4

结构：O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

HCID197147

Tetraphosphoric acid

H6O13P4

结构：CC(=O)C1CCC2C3CCC4CC5OC5CC4(C)C3C(=O)CC12C

HCID178465864

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C1CCC2C3CCC4CC(O)C(SC#N)CC4(C)C3C(=O)CC12C

HCID178465919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcfc3de087484d7cb3f7ddd82c228776
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Cl+3:46]([OH:47])([O-:48])([O-:49])[O-:50].[K+:25].[O:1]1[CH:2]2[CH:3]1[CH2:4][CH:5]1[CH2:6][CH2:7][CH:8]3[CH:9]4[CH2:10][CH2:11][CH:12]([C:13]([CH3:14])=[O:15])[C:16]4([CH3:24])[CH2:17][C:18](=[O:23])[CH:19]3[C:20]1([CH3:22])[CH2:21]2.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:56].[P:29]([O:30][P:31]([O:32][P:33]([O:34][P:35]([OH:36])([OH:37])=[O:38])([OH:39])=[O:40])([OH:41])=[O:42])([OH:43])([OH:44])=[O:45].[S-:26][C:27]#[N:28]>>[OH:1][CH:3]1[CH:2]([S:26][C:27]#[N:28])[CH2:21][C:20]2([CH3:22])[CH:5]([CH2:4]1)[CH2:6][CH2:7][CH:8]1[CH:9]3[CH2:10][CH2:11][CH:12]([C:13]([CH3:14])=[O:15])[C:16]3([CH3:24])[CH2:17][C:18](=[O:23])[CH:19]12