HRID96238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID76283

Ethyl isocyanatoacetate

C5H7NO3

结构：FC(F)(F)c1cc(COC2CCNCC2c2ccccc2)cc(C(F)(F)F)c1

HCID11632772

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CNC(=O)N1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)C1

HCID91552089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e198db953a594244893e155e093cc80d
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:46](=[O:47])([O-:48])[OH:49].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([CH2:7][O:8][CH:9]2[CH:10]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:11][NH:12][CH2:13][CH2:14]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29].[N:37](=[C:38]=[O:39])[CH2:40][C:41](=[O:42])[O:43][CH2:44][CH3:45].[Na+:50]>>[F:2][C:3]([c:4]1[cH:5][c:6]([CH2:7][O:8][CH:9]2[CH:10]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:11][N:12]([C:38]([NH:37][CH2:40][C:41](=[O:42])[O:43][CH2:44][CH3:45])=[O:39])[CH2:13][CH2:14]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29]