HRID1547340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID24813

Phosphoric trichloride

Cl3OP

HCID31347

Sulfolane

C4H8O2S

结构：CC(C)(C)OC(=O)N1CCCc2c(sc3nc[nH]c(=O)c23)C1

HCID58116854

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCc2c(sc3ncnc(Cl)c23)C1

HCID58116846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d738ffa7ee74485abf735291c1e8cc44
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

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