HRID2136034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID11044210

未命名化合物

HCID14998816

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

PRODUCTS

生成物

结构：CN(c1ccc(C(=O)NCC2CN(c3ccccc3)CCN2Cc2ccccc2)cc1)S(C)(=O)=O

HCID14998817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-490f79cff35d41dcb3a4e0e1e75f804c
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

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