HRID2324025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID24682

Sulfur trioxide

O3S

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CO

HCID66770430

未命名化合物

PRODUCTS

生成物

HCID86646967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0c5226cf1db465c802db9392ff77e64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:46][S:47](=[O:48])[CH3:49].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[Cl:69][CH2:70][Cl:71].[OH2:72].[OH:1][CH2:2][c:3]1[cH:4][c:5]([CH3:45])[c:6]([NH:10][C:11](=[O:12])[CH2:13][CH2:14][CH2:15][CH2:16][N:17]([C:18](=[O:19])[CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][CH:25]([O:28][C:29]([NH:30][c:31]3[c:32](-[c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[cH:33][cH:34][cH:35][cH:36]3)=[O:43])[CH2:26][CH2:27]2)[CH3:44])[cH:7][c:8]1[CH3:9].[S:65](=[O:66])(=[O:67])=[O:68].[n:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[O:1]=[CH:2][c:3]1[cH:4][c:5]([CH3:45])[c:6]([NH:10][C:11](=[O:12])[CH2:13][CH2:14][CH2:15][CH2:16][N:17]([C:18](=[O:19])[CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][CH:25]([O:28][C:29]([NH:30][c:31]3[c:32](-[c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[cH:33][cH:34][cH:35][cH:36]3)=[O:43])[CH2:26][CH2:27]2)[CH3:44])[cH:7][c:8]1[CH3:9]