HRID1128787

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+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID17851056

未命名化合物

结构：COCCOCOc1cc(CC2CNCCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C

HCID17963931

未命名化合物

PRODUCTS

生成物

结构：COCCOCOc1cc(CC2CN(CCN3CCOCC3COC)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C

HCID178496294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ae03078567a43c29bf62c78677ac8dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:51](=[O:52])([O-:53])[O-:54].[C:59](=[O:60])([O-:61])[OH:62].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[Cl:39][CH2:40][CH2:41][N:42]1[CH:43]([CH2:48][O:49][CH3:50])[CH2:44][O:45][CH2:46][CH2:47]1.[ClH:38].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][c:17]([O:22][CH2:23][O:24][CH2:25][CH2:26][O:27][CH3:28])[c:18]([CH3:21])[cH:19][cH:20]3)[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:36])[F:37].[I-:58].[K+:55].[K+:56].[K+:57].[Na+:63]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][c:17]([O:22][CH2:23][O:24][CH2:25][CH2:26][O:27][CH3:28])[c:18]([CH3:21])[cH:19][cH:20]3)[CH2:10][N:11]([CH2:40][CH2:41][N:42]3[CH:43]([CH2:48][O:49][CH3:50])[CH2:44][O:45][CH2:46][CH2:47]3)[CH2:12][CH2:13]2)[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:36])[F:37]