HRID200613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID19660

Carbonate

CO3-2

HCID23393

2-(Chloromethyl)pyridine

C6H6ClN

HCID3280088

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN2C(=O)N(CC(F)(F)F)C(=O)C2C1

HCID11186755

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN2C(=O)N(CC(F)(F)F)C(=O)C2(Cc2ccccn2)C1

HCID11316315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c84b4e6a74a420f89c6fd8a3c97ad32
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[N:11]([CH2:12][CH2:13]1)[C:14](=[O:23])[N:15]([CH2:18][C:19]([F:20])([F:21])[F:22])[C:16]2=[O:17].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:24][Si:25]([N-:26][Si:27]([CH3:28])([CH3:29])[CH3:30])([CH3:31])[CH3:32].[ClH:42].[K+:33].[K+:56].[K+:57].[N:48]12[CH2:49][CH2:50][N:51]([CH2:52][CH2:53]1)[CH2:54][CH2:55]2.[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[O-:58][C:59]([O-:60])=[O:61].[c:34]1([CH2:40][Cl:41])[cH:35][cH:36][cH:37][cH:38][n:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]2([CH2:40][c:34]3[cH:35][cH:36][cH:37][cH:38][n:39]3)[N:11]([CH2:12][CH2:13]1)[C:14](=[O:23])[N:15]([CH2:18][C:19]([F:20])([F:21])[F:22])[C:16]2=[O:17]