HRID683772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID888

Magnesium cation

Mg+2

HCID1117

Sulfate

O4S-2

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6737

2,6-Dichlorobenzaldehyde

C7H4Cl2O

HCID74572

Phenyl vinyl sulphide

C8H8S

结构：COC(=O)C(Cc1ccc(N)cc1)NC(=O)OC(C)(C)C

HCID22227788

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc2c(c1)C(Sc1ccccc1)CC(c1c(Cl)cccc1Cl)N2)NC(=O)OC(C)(C)C

HCID11456054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-275faaa2989540deb9b2baefb948cf22
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:47][C:48]#[N:49].[CH:38](=[CH2:39])[S:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:28][c:29]1[c:30]([CH:31]=[O:32])[c:33]([Cl:37])[cH:34][cH:35][cH:36]1.[Cl:50][CH2:51][Cl:52].[Mg+2:22].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([C:10](=[O:11])[O:12][CH3:13])[NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:6][cH:7]1.[O-:23][S:24]([O-:25])(=[O:26])=[O:27]>>[NH:1]1[c:2]2[c:3]([cH:4][c:5]([CH2:8][CH:9]([C:10](=[O:11])[O:12][CH3:13])[NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:6][cH:7]2)[CH:38]([S:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[CH2:39][CH:31]1[c:30]1[c:29]([Cl:28])[cH:36][cH:35][cH:34][c:33]1[Cl:37]