HRID177398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID30165

Iodide ion

I-

结构：CN(C)C(=O)Sc1c(Cl)ccc2c1CCN(C(=O)OC(C)(C)C)CC2

HCID57655979

未命名化合物

HCID57656032

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCCCc3ccc4c(c3)C(C)(C)C(=O)N4)c2CC1

HCID66707310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b77f57adbcd4e6d92a49b689b2dc276
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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