HRID2129780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID81531

Diisopropylethylamine

C8H19N

结构：NC1CCC(n2nnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)C1

HCID67324681

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC1CCC(n2nnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)C1

HCID67344464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42e7aa7f47234a2c92700c4f715e2054
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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