HRID174282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

反应SMILES：O=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCNCC1

HCID59750797

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C)CC(=O)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1

HCID59750866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b07d9ceeb0fb456b912a6c3ef5727985
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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