HRID89815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)NCc1cccc(CO)c1

HCID59340333

未命名化合物

PRODUCTS

生成物

结构：O=Cc1cccc(CNC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1

HCID59340336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cac2d5c1e5a4ff094f083870ebc07ce
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

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