HRID1564387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID853605

4-{[(tert-Butoxycarbonyl)amino]methyl}benzoic acid

C13H17NO4

结构：O=S(=O)(CCN1CCC(Cc2ccccc2)C(O)C1)c1ccc(O)cc1

HCID9820994

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(C(=O)Oc2ccc(S(=O)(=O)CCN3CCC(Cc4ccccc4)C(O)C3)cc2)cc1

HCID145841959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a7e4126e3c146be8b7b38d5e355b28d
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:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[NH:34][CH2:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[OH:42])[cH:43][cH:44]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH:9]([OH:26])[CH2:10][N:11]([CH2:14][CH2:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]2)[CH2:12][CH2:13]1.[CH2:46]([O:47][CH2:48][CH3:49])[CH3:50].[CH2:51]([Cl:52])[Cl:53].[CH3:54][N:55]([c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1)[CH3:62].[ClH:45]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH:9]([OH:26])[CH2:10][N:11]([CH2:14][CH2:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([O:25][C:40]([c:39]3[cH:38][cH:37][c:36]([CH2:35][NH:34][C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[cH:44][cH:43]3)=[O:41])[cH:23][cH:24]2)[CH2:12][CH2:13]1