HRID1560481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

反应SMILES：CCCc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ncc1N1CCN(C(=O)OC(C)(C)C)CC1

HCID86647196

未命名化合物

PRODUCTS

产物

反应SMILES：CCCc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ncc1N1CCNCC1

HCID86647198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4cfb048fe92a41d89e2e8eb51930f1da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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