HRID1542442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID64783

Pseudosaccharin chloride

C7H4ClNO2S

结构：COc1ccc(CN2Cc3sc(N)c(C(=O)OC(C)(C)C)c3CC2CN)cc1

HCID69585510

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2Cc3sc(N)c(C(=O)OC(C)(C)C)c3CC2CNC2=NS(=O)(=O)c3ccccc32)cc1

HCID178490760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eff34c1a117c423f8845ff652072c1b2
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([NH2:28])[s:10][c:11]2[c:16]1[CH2:15][CH:14]([CH2:17][NH2:18])[N:13]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1)[CH2:12]2.[C:48]([O:49][CH2:50][CH3:51])(=[O:52])[CH3:53].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cl:36][C:37]1=[N:38][S:39](=[O:46])(=[O:47])[c:40]2[c:41]1[cH:42][cH:43][cH:44][cH:45]2.[Cl:54][CH2:55][Cl:56].[Cl:57][CH2:58][Cl:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([NH2:28])[s:10][c:11]2[c:16]1[CH2:15][CH:14]([CH2:17][NH:18][C:37]1=[N:38][S:39](=[O:46])(=[O:47])[c:40]3[c:41]1[cH:42][cH:43][cH:44][cH:45]3)[N:13]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1)[CH2:12]2